SCHEMBL7367197

SCHEMBL7367197

COC(=O)CC(CCc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccc(C#N)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.71
F10 P00742 8/20 0.71
PRSS1 P07477 7/20 0.71
PGR P06401 1/20 0.50
HDAC8 Q9BY41 3/20 0.49
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC4 P56524 1/20 0.43
AR P10275 1/20 0.42
P4HB P07237 1/20 0.42
HTR6 P50406 1/20 0.42
GPR27 Q9NS67 1/20 0.41

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
SCHEMBL7361243 0.89 F10 (0.69) F2F10PRSS1CNR1
SCHEMBL7361040 0.84 F10 (0.58) F2F10PRSS1
SCHEMBL7362516 0.81 F10 (0.67) F2F10PRSS1
SCHEMBL7363315 0.81 F10 (0.60) F2F10PRSS1
SCHEMBL7360285 0.80 F10 (0.71) F2F10PRSS1
Trifluoroacetic Acid SCHEMBL8345456 0.79 F10 (0.90) F2F10PRSS1
SCHEMBL7360144 0.76 F10 (0.61) F2F10PRSS1
SCHEMBL7365982 0.75 F2 (0.58) F2F10PRSS1CNR1CNR2
SCHEMBL7364249 0.75 F2 (0.62) F2F10PRSS1CNR1CNR2
SCHEMBL7361691 0.73 MMP12 (0.58) F2F10PRSS1CNR1CNR2

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