SCHEMBL4201378

SCHEMBL4201378

CO[C@@H]1C[C@@H](OC(=O)Nc2ccc(N3CCOCC3=O)cc2)N(C(=O)/C=C/c2c[nH]cn2)C1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.43
MTOR P42345 2/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL4214651 0.92 F10 (0.53) F10MTORPTGS2
SCHEMBL4208494 0.91 F10 (0.46) F10MTORPTGS2
SCHEMBL4207838 0.89 F10 (0.41) F10MTOR
SCHEMBL76637 0.88 F10 (0.52) F10MTORPTGS2
SCHEMBL76638 0.88 F10 (0.52) F10MTORPTGS2
SCHEMBL2640172 0.84 F10 (0.52) F10PTGS2
SCHEMBL2639537 0.83 F10 (0.48) F10
SCHEMBL2640248 0.83 F10 (0.48) F10
SCHEMBL2639459 0.83 F10 (0.43) F10MTOR
SCHEMBL2639800 0.83 F10 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720844-B1 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2009-04-29 EP disclosed
EP-1791597-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF Merck Patent GmbH (DE) 2007-06-06 EP disclosed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 WO disclosed