SCHEMBL4033742

SCHEMBL4033742

C[C@@H](O)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.88
ABCB11 O95342 1/20 0.56
F2 P00734 1/20 0.56
ST14 Q9Y5Y6 1/20 0.56

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
SCHEMBL4032250 0.94 F10 (1.00) F10ABCB11F2ST14
SCHEMBL4032260 0.94 F10 (1.00) F10ABCB11F2ST14
SCHEMBL4032616 0.91 F10 (0.84) F10
SCHEMBL4026983 0.90 F10 (1.00) F10
SCHEMBL4026975 0.90 F10 (1.00) F10
SCHEMBL4029665 0.90 F10 (0.82) F10ABCB11F2ST14
SCHEMBL4029658 0.90 F10 (0.82) F10ABCB11F2ST14
SCHEMBL4029659 0.90 F10 (0.82) F10ABCB11F2ST14
SCHEMBL4033528 0.89 F10 (0.81) F10
SCHEMBL4030942 0.86 F10 (1.00) 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 4 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
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 disclosed
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 disclosed