SCHEMBL18779807

SCHEMBL18779807

CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(NC(=O)CO)cc2)C(O)O1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.45
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
RORC P51449 14/20 0.37
F10 P00742 1/20 0.36
PTPN11 Q06124 1/20 0.35

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
SCHEMBL20802077 0.80 F10 (0.54) NAMPTF10
SCHEMBL18779773 0.77 F10 (0.49) F10
SCHEMBL31165348 0.69 NPFFR1 (0.49) NAMPTCA1
SCHEMBL18779770 0.67 F10 (0.55) F10
SCHEMBL8693590 0.66 CA1 (0.54) NAMPTCA1CA2PTPN11
SCHEMBL31165315 0.65 NPFFR1 (0.46) NAMPTRORC
SCHEMBL29987151 0.65 NAMPT (0.52) NAMPTRORC
SCHEMBL8117400 0.64 TDP1 (0.42)
SCHEMBL8692897 0.64 CA1 (0.66) NAMPTCA1CA2PTPN11
SCHEMBL5963740 0.64 TDP1 (0.42)

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-2722330-B1 NOVEL METHOD FOR SYNTHESIZING RIVAROXABAN INTERMEDIATE, 4-{4-[(5S)-5-(AMINOMETHYL)-2-OXO-1,3-OXAZOLIDIN-3-YL]PHENYL}MORPHOLIN-3-ONE ZHEJIANG HUAHAI PHARM CO LTD (CN) 2017-04-26 EP disclosed