SCHEMBL4240814

SCHEMBL4240814

NC(=O)Nc1cccc(C(F)(F)COCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.72
ADRB3 P13945 19/20 0.72
ADRB1 P08588 18/20 0.72

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
SCHEMBL524162 1.00 ADRB2 (0.72) ADRB2ADRB3ADRB1
SCHEMBL30480372 1.00 ADRB2 (0.72) ADRB2ADRB3ADRB1
SCHEMBL524163 1.00 ADRB2 (0.72) ADRB2ADRB3ADRB1
SCHEMBL12213641 0.92 ADRB2 (0.61) ADRB2ADRB3ADRB1
SCHEMBL11903526 0.87 ADRB2 (0.54) ADRB2ADRB3ADRB1
SCHEMBL11903502 0.87 ADRB2 (0.54) ADRB2ADRB3ADRB1
SCHEMBL11903513 0.87 ADRB2 (0.54) ADRB2ADRB3ADRB1
SCHEMBL30510394 0.86 ADRB2 (0.69) ADRB2ADRB3ADRB1
SCHEMBL185382 0.86 ADRB2 (0.69) ADRB2ADRB3ADRB1
SCHEMBL28335500 0.86 ADRB2 (0.69) ADRB2ADRB3ADRB1

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
CN-108026080-B Pyrazolyl-substituted heteroaryl compounds and their use as medicaments 勃林格殷格翰国际有限公司 2021-06-11 CN disclosed
EP-2875020-B1 PROCESS FOR THE PREPARATION OF A FUMARIC ACID SALT OF 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY- CHINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE BOEHRINGER INGELHEIM INT (DE) 2017-09-06 EP disclosed
EP-2794595-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
EP-2773633-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
EP-2861577-B1 TERTIARY AMINES, MEDICAMENTS CONTAINING SAID AMINES, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-01-04 EP disclosed
EP-2651932-B1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 EP disclosed
EP-2897940-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF Boehringer Ingelheim International GmbH (DE) 2015-07-29 EP disclosed
EP-2875020-A1 FUMARIC ACID SALT OF 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY- CHINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE, ITS USE AS MEDICAMENT AND THE PREPARATION THEREOF Boehringer Ingelheim International GmbH (DE) 2015-05-27 EP disclosed
EP-2861577-A1 TERTIARY AMINES, MEDICAMENTS CONTAINING SAID AMINES, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF Boehringer Ingelheim International GmbH (DE) 2015-04-22 EP disclosed
EP-2794595-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF Boehringer Ingelheim International GmbH (DE) 2014-10-29 EP disclosed
WO-2014012859-A1 FUMARIC ACID SALT OF 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY- CHINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE, ITS USE AS MEDICAMENT AND THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-23 WO disclosed
WO-2013174757-A1 TERTIARY AMINES, MEDICAMENTS CONTAINING SAID AMINES, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-28 WO disclosed
WO-2013092674-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 WO disclosed
WO-2013064450-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-10 WO disclosed
EP-2079725-B1 PIPERIDYL-PROPANE-THIOL CCR3 MODULATORS BOEHRINGER INGELHEIM INT (DE) 2011-12-14 EP disclosed
EP-2114945-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
EP-2079731-A1 NOVEL SUBSTITUTED PIPERIDYL-PROPANE-THIOLS Boehringer Ingelheim International GmbH (DE) 2009-07-22 EP disclosed
WO-2008092831-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-07 WO disclosed
EP-1953163-A1 Pteridinone derivatives as PI3-kinases inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP disclosed
WO-2008049875-A1 NOVEL SUBSTITUTED PIPERIDYL-PROPANE-THIOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 WO disclosed