SCHEMBL7365982

SCHEMBL7365982

COC(=O)CC(CCCCc1ccc(N)cc1)c1cccc(C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.58
F10 P00742 13/20 0.58
PRSS1 P07477 10/20 0.58
KCNA5 P22460 2/20 0.42
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL7362516 0.93 F10 (0.67) F2F10PRSS1KCNA5MMP12
SCHEMBL7361040 0.85 F10 (0.58) F2F10PRSS1KCNA5MMP12
SCHEMBL7360285 0.82 F10 (0.71) F2F10PRSS1
SCHEMBL7360144 0.82 F10 (0.61) F2F10PRSS1MMP12MMP13
SCHEMBL7363315 0.82 F10 (0.60) F2F10PRSS1KCNA5FFAR1
SCHEMBL7360245 0.79 F10 (0.76) F2F10PRSS1
SCHEMBL7361243 0.78 F10 (0.69) F2F10PRSS1KCNA5MMP12
SCHEMBL7364249 0.76 F2 (0.62) F2F10PRSS1KCNA5MMP12
SCHEMBL7367197 0.75 F2 (0.71) F2F10PRSS1CNR1CNR2
SCHEMBL24387800 0.74 KCNA5 (0.52) KCNA5CNR1CNR2FFAR1

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