SCHEMBL4206281

SCHEMBL4206281

CO[C@@H]1C[C@@H](OC(=O)Nc2ccc(N3CCOCC3=O)cc2F)N(C(=O)/C=C/c2ccc(Cl)o2)C1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.46
MTOR P42345 1/20 0.36

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
SCHEMBL4208665 0.93 F10 (0.47) F10MTOR
SCHEMBL4201107 0.92 F10 (0.43) F10MTOR
SCHEMBL2639944 0.90 F10 (0.50) F10MTOR
SCHEMBL4208489 0.89 F10 (0.46) F10MTOR
SCHEMBL4204037 0.89 F10 (0.46) F10
SCHEMBL76571 0.89 F10 (0.48) F10MTOR
SCHEMBL76572 0.89 F10 (0.48) F10MTOR
SCHEMBL2639537 0.89 F10 (0.48) F10
SCHEMBL2640178 0.85 F10 (0.41) F10MTOR
SCHEMBL4207838 0.85 F10 (0.41) F10MTOR

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 5 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
EP-1720844-A2 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) 2006-11-15 EP disclosed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 WO disclosed
WO-2004087646-A2 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) 2004-10-14 WO disclosed