SCHEMBL6436677

SCHEMBL6436677

COc1cccc2c1cc(C(=O)NCCc1ccncc1)n2Cc1cccc(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.59
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
ROCK2 O75116 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ROCK1 Q13464 1/20 0.45
CCR2 P41597 1/20 0.45
NPY5R Q15761 1/20 0.44
CNR1 P21554 2/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL6440151 0.91 F10 (0.72) F10MTNR1AMTNR1BCCR2CNR1
SCHEMBL6432403 0.84 CCR2 (0.50) F10ROCK2CCR2NPY5RCNR1
SCHEMBL6433022 0.83 F10 (0.65) F10MTNR1AMTNR1BCCR2
SCHEMBL6433274 0.83 F10 (0.74) F10MTNR1AMTNR1BROCK2CCR2
SCHEMBL6435685 0.82 F10 (0.71) F10MTNR1AMTNR1BCCR2
SCHEMBL6433700 0.82 CCR2 (0.54) F10MTNR1AMTNR1BCCR2
SCHEMBL6433546 0.81 CCR2 (0.67) F10MTNR1AMTNR1BCCR2
SCHEMBL6432347 0.80 F10 (0.61) F10MTNR1AMTNR1BCCR2
SCHEMBL6432441 0.75 F10 (0.58) F10ROCK2CCR2CNR1
SCHEMBL6434382 0.72 F10 (0.51) F10ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042287-B1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 WO disclosed