SCHEMBL4680065

SCHEMBL4680065

N=C(N)c1cccc(S(=O)(=O)N(Cc2ccccc2)C2CCCN(c3ccc(-c4ccccc4S(N)(=O)=O)cc3F)C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.54
F2 P00734 1/20 0.45
FPR2 P25090 1/20 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
SCHEMBL4679795 0.89 F10 (0.47) F10F2
SCHEMBL6988224 0.83 F10 (0.47) F10F2
SCHEMBL4683642 0.72 F10 (0.66) F10
SCHEMBL4679648 0.71 F10 (0.71) F10FPR2
SCHEMBL4683511 0.70 F10 (0.64) F10FPR2
SCHEMBL4481325 0.70 F10 (1.00) F10
SCHEMBL4683893 0.69 F10 (0.51) F10
SCHEMBL4680990 0.69 F10 (0.48) F10FPR2
SCHEMBL6859806 0.69 F10 (0.43) F10F2
SCHEMBL4681207 0.69 F10 (0.67) F10

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 1 patent. 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