SCHEMBL931372

SCHEMBL931372

O=C(OCC(=CO)c1ccccc1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CHRM4 P08173 1/20 0.38
KCNN4 O15554 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLA2G7 Q13093 1/20 0.35
PDPK1 O15530 1/20 0.35
SNCA P37840 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromomethane SCHEMBL118164 0.96 CHRM2 (0.39) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL14142347 0.90 PDPK1 (0.46) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL7081056 0.88 MEN1 (0.36) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL7082002 0.87 HPGD (0.43) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL7085430 0.87 NPC1 (0.43) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL7085988 0.87 MEN1 (0.43) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL3911903 0.86 KCNN4 (0.41) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL543310 0.86 KCNN4 (0.40) CHRM2CHRM1CHRM3KMT2AMEN1
Bromomethane SCHEMBL7081897 0.85 CHRM2 (0.36) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL14142466 0.85 CHRM3 (0.34) CHRM2CHRM1CHRM3KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670736-A1 9-[4-(3-CHLOR-2-FLUOR-PHENYLAMINO)-7-METHOXY-QUINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE DIMALEATE, USE THEREOF AS A DRUG, AND PRODUCTION THEREOF Boehringer Ingelheim International GmbH (DE) 2013-12-11 EP disclosed
WO-2012104206-A9 9-[4-(3-CHLOR-2-FLUOR-PHENYLAMINO)-7-METHOXY-QUINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE DIMALEATE, USE THEREOF AS A DRUG, AND PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-21 WO disclosed
EP-2654657-A1 PACKAGINGS WITH ADSORBENT FOR MEDICINAL PRODUCTS Boehringer Ingelheim International GmbH (DE) 2013-10-30 EP disclosed
EP-1328524-B1 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2012-12-12 EP disclosed
WO-2012104206-A1 9-[4-(3-CHLOR-2-FLUOR-PHENYLAMINO)-7-METHOXY-QUINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE DIMALEATE, USE THEREOF AS A DRUG, AND PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-09 WO disclosed
WO-2012084017-A1 PACKAGINGS WITH ADSORBENT FOR MEDICINAL PRODUCTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 WO disclosed
EP-2313406-A2 4-DIMETHYLAMINOPHENYL SUBSTITUTED NAPTHTHYRIDINES UND THEIR USE AS MEDICINE Boehringer Ingelheim International GmbH (DE) 2011-04-27 EP disclosed
WO-2011000669-A1 PACKAGES WITH ADSORBENT FOR MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-06 WO disclosed
EP-2247581-A2 CRISTALLINES, ENANTIOMERICALLY PURE SALT FORM OF A BETAMIMETIC AGENT, AND THE USE THEREOF AS A MEDICAMENT Boehringer Ingelheim International GmbH (DE) 2010-11-10 EP disclosed
EP-2245026-A1 SPIROCYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND METHOD FOR THEIR PRODUCTION Boehringer Ingelheim International GmbH (DE) 2010-11-03 EP disclosed
WO-2009103479-A2 CRISTALLINES, ENANTIOMERICALLY PURE SALT FORM OF A BETAMIMETIC AGENT, AND THE USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed
WO-2009098061-A1 SPIROCYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 WO disclosed
EP-1981574-A1 ADAPTER FOR INHALATION APPLIANCES FOR TREATMENT OF ARTIFICIALLY VENTILATED PATIENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2008-10-22 EP disclosed
EP-1910794-A1 METHOD FOR CHECKING THE PERMEABILITY RATE OF A SEALED CONTAINER Boehringer Ingelheim International GmbH (DE) 2008-04-16 EP disclosed
WO-2007088188-A1 ADAPTER FOR INHALATION APPLIANCES FOR TREATMENT OF ARTIFICIALLY VENTILATED PATIENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-08-09 WO disclosed
EP-1809243-A2 AEROSOL SUSPENSION FORMULATIONS CONTAINING TG 227 EA OR TG 134 A AS A PROPELLANT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-25 EP disclosed
WO-2007012629-A1 METHOD FOR CHECKING THE PERMEABILITY RATE OF A SEALED CONTAINER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-01 WO disclosed
WO-2006002840-A2 AEROSOL SUSPENSION FORMULATIONS CONTAINING TG 227 EA OR TG 134 A AS A PROPELLANT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-12 WO disclosed
EP-1328524-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-23 EP disclosed
WO-2002032898-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 WO disclosed