SCHEMBL7360144

SCHEMBL7360144

COC(=O)CC(CCc1ccc(C#N)cc1)c1cccc(N)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.61
F2 P00734 15/20 0.61
PRSS1 P07477 11/20 0.61
HTT P42858 1/20 0.43
MMP12 P39900 2/20 0.43
MMP13 P45452 2/20 0.43

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
SCHEMBL7361040 0.90 F10 (0.58) F10F2PRSS1HTTMMP12
SCHEMBL7362516 0.89 F10 (0.67) F10F2PRSS1MMP12MMP13
SCHEMBL7360245 0.89 F10 (0.76) F10F2PRSS1
SCHEMBL7361112 0.85 HTT (0.54) F10F2PRSS1HTTMMP12
SCHEMBL7360285 0.83 F10 (0.71) F10F2PRSS1
SCHEMBL7365982 0.82 F2 (0.58) F10F2PRSS1MMP12MMP13
SCHEMBL7363315 0.82 F10 (0.60) F10F2PRSS1
SCHEMBL7364249 0.80 F2 (0.62) F10F2PRSS1MMP12MMP13
SCHEMBL7361243 0.79 F10 (0.69) F10F2PRSS1MMP12MMP13
SCHEMBL7361941 0.76 F10 (0.58) F10F2PRSS1MMP12MMP13

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-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
US-5942544-A α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-24 US disclosed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed