SCHEMBL6434800

SCHEMBL6434800

N#Cc1cccc(Cn2c(C(=O)NCc3ccncc3)cc3cc(F)ccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.53
F10 P00742 10/20 0.50
CNR1 P21554 7/20 0.49
F2 P00734 2/20 0.47
BRD4 O60885 1/20 0.47
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47

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
SCHEMBL6432441 0.89 F10 (0.58) CCR2F10CNR1F2BRD4
SCHEMBL6438708 0.87 F10 (0.66) CCR2F10CNR1F2KLKB1
Iodide SCHEMBL6433240 0.86 F10 (0.65) CCR2F10CNR1F2
Iodide SCHEMBL6432760 0.84 F10 (0.66) CCR2F10CNR1F2KLKB1
SCHEMBL6437209 0.83 F10 (0.59) F10F2
Bromide SCHEMBL6437108 0.83 F10 (0.56) CCR2F10CNR1F2KLKB1
Bromide SCHEMBL6433169 0.82 F10 (0.68) CCR2F10CNR1F2KLKB1
SCHEMBL6436698 0.81 F10 (0.66) CCR2F10CNR1F2KLKB1
Bromide SCHEMBL6434471 0.81 F10 (0.68) CCR2F10CNR1F2KLKB1
SCHEMBL6432426 0.81 CCR2 (0.78) CCR2F10CNR1

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