SCHEMBL6433082

SCHEMBL6433082

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

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.78
F10 P00742 4/20 0.52
GPR35 Q9HC97 1/20 0.51
F2 P00734 2/20 0.50
CCR9 P51686 1/20 0.49
FEN1 P39748 1/20 0.46
PLA2G10 O15496 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
Trifluoroacetic Acid SCHEMBL6436827 0.94 CCR2 (0.69) CCR2F10GPR35F2CCR9
SCHEMBL6436016 0.87 CCR2 (1.00) CCR2GPR35CCR9ABCB11
SCHEMBL6432426 0.86 CCR2 (0.78) CCR2F10GPR35CCR9FEN1
SCHEMBL6436704 0.86 CCR2 (0.78) CCR2F10GPR35CCR9FEN1
SCHEMBL6433076 0.86 CCR2 (0.77) CCR2F10GPR35CCR9FEN1
SCHEMBL15712747 0.84 CCR2 (0.74) CCR2F10GPR35ABCB11
SCHEMBL6436829 0.83 CCR2 (0.55) CCR2F10F2
SCHEMBL6438707 0.83 CCR2 (0.72) CCR2F10GPR35CCR9
Trifluoroacetic Acid SCHEMBL6433228 0.83 F10 (0.72) CCR2F10F2
Trifluoroacetic Acid SCHEMBL6433147 0.82 CCR2 (0.54) CCR2F10F2

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