SCHEMBL4208494

SCHEMBL4208494

O=C(Nc1ccc(N2CCOCC2=O)cc1)O[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1c[nH]cn1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.46
JAK3 P52333 1/20 0.37
PTGS2 P35354 1/20 0.36
MTOR P42345 4/20 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
SCHEMBL4201378 0.91 F10 (0.43) F10PTGS2MTOR
SCHEMBL4208884 0.89 F10 (0.40) F10JAK3MTOR
SCHEMBL4214651 0.89 F10 (0.53) F10JAK3PTGS2MTOR
SCHEMBL76702 0.87 F10 (0.60) F10JAK3PTGS2MTOR
SCHEMBL76703 0.87 F10 (0.60) F10JAK3PTGS2MTOR
SCHEMBL2640012 0.85 F10 (0.49) F10JAK3PTGS2MTOR
SCHEMBL4201454 0.83 F10 (0.59) F10PTGS2
SCHEMBL2639640 0.82 F10 (0.48) F10PTGS2
SCHEMBL2639870 0.82 F10 (0.46) F10JAK3PTGS2MTOR
SCHEMBL2639936 0.82 F10 (0.47) 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 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