SCHEMBL4680885

SCHEMBL4680885

CN(C1(F)CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2)C1=O)S(=O)(=O)c1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.38
FEN1 P39748 5/20 0.38
FPR2 P25090 1/20 0.37
F10 P00742 12/20 0.36
F9 P00740 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL4680779 0.71 LMNA (0.39) ALOX5APFEN1FPR2F10F9
SCHEMBL4680778 0.70 F10 (0.41) ALOX5APFEN1FPR2F10F9
SCHEMBL4686406 0.67 F10 (0.50) FPR2F10
SCHEMBL4680650 0.66 F10 (0.51) FPR2F10
SCHEMBL4680114 0.66 F10 (0.42) ALOX5APFEN1FPR2F10
SCHEMBL4680194 0.66 F10 (0.42) ALOX5APFEN1FPR2F10F9
SCHEMBL4680797 0.66 F10 (0.49) F10
SCHEMBL4680260 0.66 F10 (0.53) FPR2F10
SCHEMBL4680196 0.65 F10 (0.41) ALOX5APFEN1FPR2F10
SCHEMBL4680888 0.65 F10 (0.39) ALOX5APFEN1FPR2F10F9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337251-B1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2008-08-20 EP claimed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP claimed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO claimed