SCHEMBL13890609

SCHEMBL13890609

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

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.73
PTGS2 P35354 2/20 0.58

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
SCHEMBL4455871 0.82 F10 (0.65) F10PTGS2
SCHEMBL13677854 0.82 F10 (0.82) F10PTGS2
SCHEMBL8268508 0.82 F10 (0.82) F10PTGS2
SCHEMBL28956907 0.82 PTGS2 (0.67) F10PTGS2
SCHEMBL4448086 0.81 F10 (0.64) F10PTGS2
SCHEMBL13677849 0.81 F10 (0.81) F10PTGS2
SCHEMBL19647445 0.81 F10 (0.62) F10PTGS2
SCHEMBL13890614 0.81 F10 (0.79) F10PTGS2
SCHEMBL77342 0.81 F10 (0.66) F10PTGS2
SCHEMBL85613 0.81 F10 (0.66) 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 1 patent. 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