SCHEMBL5225669

SCHEMBL5225669

CC(C)(CNC(=O)OCc1ccccc1)OC(=O)[C@H]1CCNC[C@@H]1c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
TACR1 P25103 3/20 0.40
HTR2C P28335 1/20 0.38
KDM1A O60341 3/20 0.38
RCOR1 Q9UKL0 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
SLC6A4 P31645 1/20 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
SCHEMBL5221674 0.88 MAPT (0.41) MAPTPKMTACR1HTR2CITGB3
SCHEMBL5227764 0.88 MAPT (0.41) MAPTPKMTACR1HTR2CITGB3
SCHEMBL5226602 0.88 MAPT (0.41) MAPTPKMTACR1HTR2CITGB3
SCHEMBL7367007 0.82 ALDH1A1 (0.43) HTR2CITGB3ITGA2B
SCHEMBL8036361 0.79 ITGB3 (0.45) HTR2CITGB3ITGA2B
SCHEMBL7397160 0.78 ALDH1A1 (0.43) HTR2CITGB3ITGA2B
SCHEMBL4031368 0.75 PREP (0.41) HTR2C
SCHEMBL13209102 0.73 MAPT (0.54) MAPTPKMSLC6A4
SCHEMBL3017415 0.73 MAPT (0.54) MAPTPKMSLC6A4
SCHEMBL14642003 0.73 MAPT (0.54) MAPTPKMSLC6A4

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-1789389-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2007-05-30 EP disclosed
WO-2006030984-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2006-03-23 WO disclosed