SCHEMBL6432886

SCHEMBL6432886

CC(NC(=O)c1cc2ccccc2n1Cc1cccc(C#N)c1)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.56
CCR2 P41597 1/20 0.48
CNR1 P21554 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGER4 P35408 1/20 0.44
TRPA1 O75762 1/20 0.44
PHGDH O43175 2/20 0.43
PPARG P37231 3/20 0.43
TP53 P04637 1/20 0.42
GPR139 Q6DWJ6 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
SCHEMBL6433060 0.89 F10 (0.71) F10CCR2CNR1PPARG
SCHEMBL6432441 0.83 F10 (0.58) F10CCR2CNR1
SCHEMBL6436769 0.83 F10 (0.67) F10PHGDHPPARG
SCHEMBL6432403 0.81 CCR2 (0.50) F10CCR2CNR1
SCHEMBL6436698 0.78 F10 (0.66) F10CCR2CNR1
SCHEMBL6433274 0.77 F10 (0.74) F10CCR2
SCHEMBL6433076 0.77 CCR2 (0.77) F10CCR2
SCHEMBL7429297 0.76 F10 (0.50) F10CCR2CNR1USP2POLB
SCHEMBL6432496 0.76 F10 (0.62) F10CCR2CNR1
SCHEMBL7425299 0.75 F10 (0.53) F10CCR2CNR1POLBPPARG

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