SCHEMBL4208489

SCHEMBL4208489

CO[C@@H]1C[C@@H](OC(=O)Nc2ccc(N3CCOCC3=O)cc2F)N(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.46
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
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
SCHEMBL2639944 0.94 F10 (0.50) F10MTOR
SCHEMBL4209702 0.93 F10 (0.48) F10NPC1RAB9ATDP1MTOR
SCHEMBL4209725 0.91 F10 (0.44) F10NPC1RAB9ATDP1MTOR
SCHEMBL76700 0.90 F10 (0.48) F10NPC1RAB9ATDP1MTOR
SCHEMBL76701 0.90 F10 (0.48) F10NPC1RAB9ATDP1MTOR
SCHEMBL2639800 0.89 F10 (0.47) F10NPC1RAB9ATDP1
SCHEMBL4206281 0.89 F10 (0.46) F10MTOR
SCHEMBL4204037 0.89 F10 (0.46) F10
SCHEMBL2640178 0.87 F10 (0.41) F10MTOR
SCHEMBL2639923 0.87 F10 (0.52) 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-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-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