SCHEMBL543310

SCHEMBL543310

O=C(OCC(=CO)c1ccccc1)C(O)(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PLA2G7 Q13093 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PDPK1 O15530 2/20 0.34
POLB P06746 2/20 0.34
CHRM4 P08173 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PPARA Q07869 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32

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 SCHEMBL119398 0.96 KCNN4 (0.38) KCNN4NPC1RAB9APLA2G7MEN1
SCHEMBL7085713 0.90 NPC1 (0.41) NPC1RAB9AMEN1KMT2ACHRM2
SCHEMBL7086476 0.90 PPARG (0.36) NPC1RAB9AMEN1KMT2ACHRM2
SCHEMBL14142466 0.89 CHRM3 (0.34) KCNN4MEN1KMT2ACHRM2CHRM1
Bromomethane SCHEMBL7085461 0.87 NPC1 (0.39) NPC1RAB9AMEN1KMT2ACHRM2
Bromomethane SCHEMBL7086475 0.87 PPARG (0.34) NPC1RAB9AMEN1KMT2ACHRM2
SCHEMBL931372 0.86 CHRM2 (0.39) KCNN4NPC1RAB9APLA2G7MEN1
SCHEMBL3911903 0.85 KCNN4 (0.41) KCNN4NPC1RAB9AMEN1KMT2A
SCHEMBL7081056 0.85 MEN1 (0.36) KCNN4MEN1KMT2ACHRM2CHRM1
SCHEMBL14142677 0.85 KCNN4 (0.32) KCNN4NPC1RAB9APDPK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328524-B1 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2012-12-12 EP disclosed
EP-2414338-A1 SALTS AND HYDRATES OF 4-[(3-CHLOR-4-FLUORO-PHENYL)AMINO]-6-(CIS-4-{N-[(MORPH-1-OLINO-4-YL)CARBONYL]-N-METHYL-AMINO}-CYCLOHEXANE-1-YLOXY)-7-METHOXY-QUINAZOLINE, THEIR USE AS DRUGS AND THEIR PRODUCTION Boehringer Ingelheim International GmbH (DE) 2012-02-08 EP disclosed
WO-2011098607-A1 SALTS AND HYDRATES OF 4-[(3-CHLOR-4-FLUORO-PHENYL)AMINO]-6-(CIS-4-{N-[(MORPH-1-OLINO-4-YL)CARBONYL]-N-METHYL-AMINO}-CYCLOHEXANE-1-YLOXY)-7-METHOXY-QUINAZOLINE, THEIR USE AS DRUGS AND THEIR PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 WO disclosed
EP-2205609-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2010-07-14 EP disclosed
EP-2179272-A1 OPTICAL FILLING CONTROL OF PHARMACEUTICAL CAPSULES IN CAPSULE FILLING MACHINES Boehringer Ingelheim International GmbH (DE) 2010-04-28 EP disclosed
WO-2009050242-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009007333-A1 OPTICAL FILLING CONTROL OF PHARMACEUTICAL CAPSULES IN CAPSULE FILLING MACHINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-15 WO disclosed
EP-1941263-A1 OPTICAL SEMI-QUANTITATIVE 100 % FILLING CHECK OF PHARMACEUTICAL CAPSULES ON CAPSULE FILLING MACHINES Boehringer Ingelheim International GmbH (DE) 2008-07-09 EP disclosed
WO-2007045670-A1 OPTICAL SEMI-QUANTITATIVE 100 % FILLING CHECK OF PHARMACEUTICAL CAPSULES ON CAPSULE FILLING MACHINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-26 WO disclosed
EP-1325001-B1 ANTICHOLINERGIC AGENTS THAT CAN BE USED AS MEDICAMENTS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2004-02-18 EP disclosed
EP-1382606-A2 8-azabicyclo[3.2.1]octane derivatives and their use as anticholinergics BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-21 EP 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
EP-1325001-A1 ANTICHOLINERGIC AGENTS THAT CAN BE USED AS MEDICAMENTS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-09 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
WO-2002032899-A1 NOVEL ANTICHOLINERGIC AGENTS THAT CAN BE USED AS MEDICAMENTS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 WO disclosed