SCHEMBL6436704

SCHEMBL6436704

N#Cc1cccc(Cn2c(C(=O)O)cc3cc(Br)ccc32)c1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.78
GPR35 Q9HC97 1/20 0.51
CCR9 P51686 3/20 0.49
F10 P00742 1/20 0.49
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
FEN1 P39748 1/20 0.46
MCL1 Q07820 1/20 0.46
ABCB11 O95342 1/20 0.46

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
SCHEMBL3190280 0.91 CCR2 (0.71) CCR2GPR35CCR9F10
SCHEMBL6436016 0.87 CCR2 (1.00) CCR2GPR35CCR9ABCB11
SCHEMBL6432426 0.86 CCR2 (0.78) CCR2GPR35CCR9F10PIK3R1
SCHEMBL6433082 0.86 CCR2 (0.78) CCR2GPR35CCR9F10FEN1
SCHEMBL6433076 0.86 CCR2 (0.77) CCR2GPR35CCR9F10FEN1
SCHEMBL6432762 0.85 CCR2 (0.58) CCR2F10PIK3R1PIK3CA
SCHEMBL27663338 0.84 CCR2 (0.71) CCR2GPR35CCR9MCL1ABCB11
SCHEMBL6438707 0.83 CCR2 (0.72) CCR2GPR35CCR9F10
SCHEMBL939920 0.82 CCR2 (0.59) CCR2GPR35CCR9F10MCL1
SCHEMBL6432803 0.82 CCR2 (0.70) CCR2GPR35F10

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