SCHEMBL6436698

SCHEMBL6436698

N#Cc1cccc(Cn2c(C(=O)NCc3ccccc3)cc3ccccc32)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.66
CCR2 P41597 3/20 0.59
KLKB1 P03952 1/20 0.53
KLK1 P06870 1/20 0.53
PLA2G10 O15496 1/20 0.49
CNR1 P21554 4/20 0.49
F2 P00734 2/20 0.48

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
SCHEMBL6432496 0.96 F10 (0.62) F10CCR2KLKB1KLK1CNR1
SCHEMBL6436901 0.93 F10 (0.69) F10CCR2KLKB1KLK1CNR1
SCHEMBL6432441 0.93 F10 (0.58) F10CCR2KLKB1KLK1CNR1
SCHEMBL6432780 0.90 F10 (0.56) F10CCR2KLKB1KLK1CNR1
SCHEMBL6432777 0.89 F10 (0.57) F10CCR2KLKB1KLK1CNR1
SCHEMBL6433076 0.86 CCR2 (0.77) F10CCR2PLA2G10
SCHEMBL6434179 0.85 F10 (0.51) F10CCR2KLKB1KLK1CNR1
SCHEMBL6432419 0.83 F10 (0.71) F10CCR2CNR1F2
SCHEMBL6432403 0.83 CCR2 (0.50) F10CCR2CNR1
SCHEMBL7712483 0.82 F10 (0.53) F10CCR2KLKB1KLK1CNR1

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