SCHEMBL7364249

SCHEMBL7364249

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.62
F10 P00742 13/20 0.62
PRSS1 P07477 10/20 0.48
EGLN1 Q9GZT9 1/20 0.43
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
KCNA5 P22460 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GPR139 Q6DWJ6 1/20 0.39

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 0.89 F10 (0.58) F2F10PRSS1MMP12MMP13
SCHEMBL7361941 0.85 F10 (0.58) F2F10PRSS1MMP12MMP13
SCHEMBL7366873 0.83 ABCB1 (0.50) F2F10PRSS1MMP12MMP13
SCHEMBL7362516 0.82 F10 (0.67) F2F10PRSS1MMP12MMP13
SCHEMBL7363315 0.82 F10 (0.60) F2F10PRSS1KCNA5
SCHEMBL7360285 0.80 F10 (0.71) F2F10PRSS1
SCHEMBL7361691 0.80 MMP12 (0.58) F2F10PRSS1MMP12MMP13
SCHEMBL7360144 0.80 F10 (0.61) F2F10PRSS1MMP12MMP13
SCHEMBL7361243 0.78 F10 (0.69) F2F10PRSS1MMP12MMP13
SCHEMBL7361112 0.78 HTT (0.54) F2F10PRSS1MMP12MMP13

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