SCHEMBL6433702

SCHEMBL6433702

CN(C)c1ccc(CNC(=O)c2cc3c(OCc4ccccc4)cccc3n2Cc2cccc(C#N)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.54
KLKB1 P03952 1/20 0.46
KLK1 P06870 1/20 0.46
F2 P00734 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6432347 0.90 F10 (0.61) F10KLKB1KLK1F2
SCHEMBL6436384 0.86 F10 (0.54) F10KLKB1KLK1F2
SCHEMBL6432363 0.85 F10 (0.63) F10F2
SCHEMBL6435685 0.82 F10 (0.71) F10KLKB1KLK1F2
SCHEMBL6433022 0.82 F10 (0.65) F10KLKB1KLK1F2
SCHEMBL6432404 0.82 CCR2 (0.57) F10
SCHEMBL6438708 0.79 F10 (0.66) F10KLKB1KLK1F2
SCHEMBL6433663 0.79 F10 (0.50) F10
SCHEMBL6434144 0.78 F10 (0.52) F10KLKB1KLK1
SCHEMBL6432887 0.78 F10 (0.54) F10KLKB1KLK1F2

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