SCHEMBL6433076

SCHEMBL6433076

N#Cc1cccc(Cn2c(C(=O)O)cc3ccccc32)c1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.77
PLA2G10 O15496 1/20 0.58
CCR9 P51686 3/20 0.56
GPR35 Q9HC97 1/20 0.55
F10 P00742 3/20 0.51
FEN1 P39748 1/20 0.49
CFTR P13569 1/20 0.47

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
SCHEMBL7423846 0.87 CCR2 (0.74) CCR2PLA2G10CCR9GPR35
SCHEMBL6436016 0.87 CCR2 (1.00) CCR2CCR9GPR35
SCHEMBL6436698 0.86 F10 (0.66) CCR2PLA2G10F10
SCHEMBL6433082 0.86 CCR2 (0.78) CCR2PLA2G10CCR9GPR35F10
SCHEMBL6436704 0.86 CCR2 (0.78) CCR2CCR9GPR35F10FEN1
SCHEMBL6432426 0.86 CCR2 (0.78) CCR2CCR9GPR35F10FEN1
SCHEMBL6432567 0.85 F10 (0.66) CCR2PLA2G10F10CFTR
SCHEMBL6432960 0.84 CCR2 (0.65) CCR2CCR9GPR35F10FEN1
SCHEMBL6433289 0.84 NOD2 (0.67) CCR2PLA2G10F10
SCHEMBL5378162 0.84 CCR2 (1.00) CCR2PLA2G10GPR35F10

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