SCHEMBL6432441

SCHEMBL6432441

N#Cc1cccc(Cn2c(C(=O)NCc3ccncc3)cc3ccccc32)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.58
CCR2 P41597 1/20 0.52
BRD4 O60885 1/20 0.49
KLKB1 P03952 1/20 0.49
KLK1 P06870 1/20 0.49
ROCK2 O75116 1/20 0.48
NAMPT P43490 1/20 0.46
CNR1 P21554 3/20 0.46
F2 P00734 1/20 0.46
CLPP Q16740 1/20 0.45

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
SCHEMBL6436698 0.93 F10 (0.66) F10CCR2KLKB1KLK1CNR1
SCHEMBL6432496 0.91 F10 (0.62) F10CCR2KLKB1KLK1CNR1
SCHEMBL6432403 0.90 CCR2 (0.50) F10CCR2ROCK2CNR1
SCHEMBL7712483 0.90 F10 (0.53) F10CCR2BRD4KLKB1KLK1
SCHEMBL6434800 0.89 CCR2 (0.53) F10CCR2BRD4KLKB1KLK1
SCHEMBL6436901 0.88 F10 (0.69) F10CCR2KLKB1KLK1CNR1
SCHEMBL6432780 0.86 F10 (0.56) F10CCR2KLKB1KLK1ROCK2
SCHEMBL6432777 0.84 F10 (0.57) F10CCR2KLKB1KLK1CNR1
SCHEMBL6432886 0.83 F10 (0.56) F10CCR2CNR1
SCHEMBL6433060 0.83 F10 (0.71) F10CCR2CNR1

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