SCHEMBL77765

SCHEMBL77765

O=C(NC[C@H]1CN(c2ccc(N3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1)c1ccc(Cl)s1.O=C(NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1)c1ccc(Cl)s1

nearest known ligand 0.92

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.92

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
SCHEMBL87165 0.96 F10 (1.00) F10
SCHEMBL77367 0.94 F10 (1.00) F10
SCHEMBL87195 0.88 F10 (1.00) F10
SCHEMBL76755 0.87 F10 (0.85) F10
SCHEMBL14641456 0.86 F10 (0.82) F10
SCHEMBL92891 0.86 F10 (0.82) F10
SCHEMBL77206 0.86 F10 (1.00) F10
SCHEMBL78027 0.86 F10 (1.00) F10
SCHEMBL76987 0.85 F10 (0.81) F10
SCHEMBL77723 0.85 F10 (0.81) 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
US-8129378-B2 Rivaroxaban and derivatives, synthesis; atherosclerosis; arthritis; Alzheimer's disease or cancer BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed