SCHEMBL6436875

SCHEMBL6436875

N=C(NO)c1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.77
F10 P00742 2/20 0.61
CCR9 P51686 1/20 0.53
PLA2G10 O15496 1/20 0.49
ABCB11 O95342 1/20 0.49
GPR35 Q9HC97 1/20 0.49

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
SCHEMBL6434124 0.88 CCR2 (0.66) CCR2F10PLA2G10GPR35
SCHEMBL27658570 0.83 CCR2 (0.82) CCR2CCR9ABCB11GPR35
SCHEMBL3191922 0.79 CCR2 (0.76) CCR2CCR9ABCB11GPR35
SCHEMBL2000903 0.77 CCR2 (0.75) CCR2F10CCR9ABCB11GPR35
SCHEMBL2643256 0.77 CCR2 (0.64) CCR2CCR9GPR35
SCHEMBL6436016 0.76 CCR2 (1.00) CCR2CCR9ABCB11GPR35
SCHEMBL3967526 0.76 CCR2 (1.00) CCR2CCR9ABCB11
SCHEMBL3198946 0.76 CCR2 (0.71) CCR2CCR9ABCB11
SCHEMBL6308068 0.76 CCR2 (0.73) CCR2CCR9ABCB11GPR35
SCHEMBL4537478 0.75 CCR2 (0.81) CCR2CCR9ABCB11GPR35

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 2 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