SCHEMBL4033732

SCHEMBL4033732

CO[C@H](C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.79

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
SCHEMBL4031231 0.92 F10 (0.77) F10
SCHEMBL4032458 0.92 F10 (0.84) F10
SCHEMBL4032444 0.92 F10 (0.84) F10
SCHEMBL4027139 0.92 F10 (0.78) F10
SCHEMBL4033191 0.92 F10 (0.76) F10
SCHEMBL4459613 0.91 F10 (0.65) F10
SCHEMBL4026992 0.89 F10 (1.00) F10
SCHEMBL4026999 0.89 F10 (1.00) F10
SCHEMBL4004665 0.89 F10 (0.70) F10
SCHEMBL4031800 0.88 F10 (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579346-B2 (R)-2-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]4-methylvaleramide, for example; inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors MERCK PATENT GMBH (DE) 2009-08-25 US claimed
EP-1562939-B1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2009-01-21 EP claimed