SCHEMBL6432780

SCHEMBL6432780

CN(C)Cc1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(C#N)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.56
KLKB1 P03952 1/20 0.52
KLK1 P06870 1/20 0.52
CCR2 P41597 1/20 0.49
CNR1 P21554 4/20 0.46
CLPP Q16740 1/20 0.45
F2 P00734 1/20 0.45
RORC P51449 1/20 0.45
ROCK2 O75116 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
SCHEMBL6432496 0.90 F10 (0.62) F10KLKB1KLK1CCR2CNR1
SCHEMBL6436698 0.90 F10 (0.66) F10KLKB1KLK1CCR2CNR1
SCHEMBL6436901 0.88 F10 (0.69) F10KLKB1KLK1CCR2CNR1
SCHEMBL6432441 0.86 F10 (0.58) F10KLKB1KLK1CCR2CNR1
SCHEMBL6432777 0.85 F10 (0.57) F10KLKB1KLK1CCR2CNR1
SCHEMBL6434179 0.84 F10 (0.51) F10KLKB1KLK1CCR2CNR1
SCHEMBL6433197 0.83 F10 (0.68) F10F2
SCHEMBL6438708 0.80 F10 (0.66) F10KLKB1KLK1CCR2CNR1
SCHEMBL6432887 0.80 F10 (0.54) F10KLKB1KLK1CCR2CNR1
SCHEMBL6434144 0.79 F10 (0.52) F10KLKB1KLK1CCR2CNR1

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