SCHEMBL6435685

SCHEMBL6435685

COc1cccc2c1cc(C(=O)NCc1ccc(O)cc1)n2Cc1cccc(C#N)c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.71
KLKB1 P03952 1/20 0.50
KLK1 P06870 1/20 0.50
CCR2 P41597 1/20 0.49
F2 P00734 2/20 0.49
MTNR1A P48039 2/20 0.48
MTNR1B P49286 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
SCHEMBL6433022 0.95 F10 (0.65) F10KLKB1KLK1CCR2F2
SCHEMBL6440151 0.91 F10 (0.72) F10CCR2MTNR1AMTNR1B
SCHEMBL6432347 0.91 F10 (0.61) F10KLKB1KLK1CCR2F2
SCHEMBL6433700 0.84 CCR2 (0.54) F10CCR2MTNR1AMTNR1B
SCHEMBL6438689 0.83 F10 (0.63) F10F2
SCHEMBL6433546 0.83 CCR2 (0.67) F10CCR2MTNR1AMTNR1B
SCHEMBL6433702 0.82 F10 (0.54) F10KLKB1KLK1F2
Hydrochloric Acid SCHEMBL6434381 0.82 F10 (0.98) F10F2
SCHEMBL6436601 0.82 F10 (0.67) F10F2
SCHEMBL6436677 0.82 F10 (0.59) F10CCR2MTNR1AMTNR1B

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