SCHEMBL6436016

SCHEMBL6436016

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 1.00
CCR9 P51686 2/20 0.55
GPR35 Q9HC97 1/20 0.55
ABCB11 O95342 1/20 0.52

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
SCHEMBL6433082 0.87 CCR2 (0.78) CCR2CCR9GPR35ABCB11
SCHEMBL6432426 0.87 CCR2 (0.78) CCR2CCR9GPR35
SCHEMBL6436704 0.87 CCR2 (0.78) CCR2CCR9GPR35ABCB11
SCHEMBL6433076 0.87 CCR2 (0.77) CCR2CCR9GPR35
SCHEMBL27658570 0.86 CCR2 (0.82) CCR2CCR9GPR35ABCB11
SCHEMBL6438707 0.84 CCR2 (0.72) CCR2CCR9GPR35
SCHEMBL3211807 0.83 CCR2 (0.71) CCR2CCR9ABCB11
SCHEMBL6432803 0.83 CCR2 (0.70) CCR2GPR35
SCHEMBL3190280 0.83 CCR2 (0.71) CCR2CCR9GPR35
SCHEMBL3191922 0.82 CCR2 (0.76) CCR2CCR9GPR35ABCB11

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