SCHEMBL6434124

SCHEMBL6434124

N=C(NO)c1cccc(Cn2c(C(=O)O)cc3ccccc32)c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.66
PLA2G10 O15496 1/20 0.64
F10 P00742 12/20 0.63
F2 P00734 1/20 0.56
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
SCHEMBL6436875 0.88 CCR2 (0.77) CCR2PLA2G10F10GPR35
SCHEMBL6432819 0.86 F10 (0.84) CCR2PLA2G10F10F2
SCHEMBL3963187 0.84 PLA2G10 (0.83) CCR2PLA2G10F10F2GPR35
SCHEMBL27497454 0.81 PLA2G10 (0.74) CCR2PLA2G10F10F2GPR35
SCHEMBL5378162 0.81 CCR2 (1.00) CCR2PLA2G10F10GPR35
SCHEMBL27811964 0.78 CCR2 (0.76) CCR2PLA2G10F10GPR35
SCHEMBL7076414 0.78 CCR2 (0.76) CCR2PLA2G10F10GPR35
SCHEMBL3957310 0.78 CCR2 (1.00) CCR2PLA2G10F10GPR35
SCHEMBL12589590 0.76 F10 (1.00) F10F2
SCHEMBL6433076 0.75 CCR2 (0.77) CCR2PLA2G10F10GPR35

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