SCHEMBL6432777

SCHEMBL6432777

CC(C)(N)c1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(C#N)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.57
KLKB1 P03952 1/20 0.52
KLK1 P06870 1/20 0.52
CLPP Q16740 1/20 0.50
CCR2 P41597 1/20 0.50
CCR9 P51686 1/20 0.49
PPARG P37231 4/20 0.49
CNR1 P21554 4/20 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
SCHEMBL6432496 0.89 F10 (0.62) F10KLKB1KLK1CLPPCCR2
SCHEMBL6436698 0.89 F10 (0.66) F10KLKB1KLK1CCR2CNR1
SCHEMBL6436901 0.88 F10 (0.69) F10KLKB1KLK1CCR2PPARG
SCHEMBL6432780 0.85 F10 (0.56) F10KLKB1KLK1CLPPCCR2
SCHEMBL6432441 0.84 F10 (0.58) F10KLKB1KLK1CLPPCCR2
SCHEMBL15926902 0.79 F10 (0.60) F10PPARG
SCHEMBL6434179 0.79 F10 (0.51) F10KLKB1KLK1CCR2PPARG
SCHEMBL7712483 0.78 F10 (0.53) F10KLKB1KLK1CCR2PPARG
SCHEMBL8358655 0.78 F10 (0.65) F10CCR2CCR9PPARG
SCHEMBL8357167 0.77 PPARG (0.59) F10CCR2CCR9PPARG

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