SCHEMBL1557056

SCHEMBL1557056

C[C@H]1CN(c2ccc(-c3ccc(-c4nc(CO)cs4)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.53
MAOA P21397 6/20 0.49
GRM2 Q14416 2/20 0.48
HTR2A P28223 1/20 0.48
MAOB P27338 2/20 0.47
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
F10 P00742 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL1557053 0.89 CALML3 (0.53) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL27836848 0.86 CALML3 (0.48) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL27836845 0.86 CALML3 (0.48) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL27836846 0.84 CALML3 (0.47) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL1556065 0.84 MAOA (0.63) CALML3MAOAMAOBF10
SCHEMBL1556067 0.83 CALML3 (0.55) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL1556071 0.83 CALML3 (0.55) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL1380483 0.81 MAOA (0.77) MAOACYP3A4CYP2C9
SCHEMBL1378948 0.80 CALML3 (0.65) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL13089911 0.79 CALML3 (0.64) CALML3MAOAMAOBCYP2C19CYP3A4

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-2305657-B1 Oxazolidinone derivatives DONG A PHARM CO LTD (KR) 2012-08-22 EP disclosed
EP-2305657-A2 Oxazolidinone derivatives Dong-A Pharmaceutical Co., Ltd. (KR) 2011-04-06 EP disclosed