SCHEMBL4205141

SCHEMBL4205141

O=C(Nc1ccc(N2CCOCC2=O)cc1)O[C@H]1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.48
PTGS2 P35354 3/20 0.44

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
SCHEMBL4205111 1.00 F10 (0.48) F10PTGS2
SCHEMBL4215208 1.00 F10 (0.48) F10PTGS2
Hydrochloric Acid SCHEMBL4208890 0.99 F10 (0.47) F10PTGS2
SCHEMBL4206657 0.88 F10 (0.48) F10PTGS2
SCHEMBL4210268 0.83 F10 (0.50) F10PTGS2
SCHEMBL4206745 0.83 F10 (0.50) F10PTGS2
SCHEMBL77416 0.83 JAK2 (0.53) F10
SCHEMBL75782 0.83 JAK2 (0.53) F10
SCHEMBL75783 0.83 JAK2 (0.53) F10
Hydrochloric Acid SCHEMBL4202080 0.82 F10 (0.49) F10PTGS2

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
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 claimed
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