SCHEMBL6589288

SCHEMBL6589288

CC(C)(C)OC(=O)N1CCC(c2ccccc2C(O)(C(=O)O)C2CCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.49
RBP4 P02753 2/20 0.46
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
NAMPT P43490 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
THRB P10828 2/20 0.43
HPGDS O60760 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
STS P08842 1/20 0.43
POLB P06746 1/20 0.43
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL747616 0.84 GPR119 (0.54) GPR119RBP4KDM4EPKMNAMPT
SCHEMBL6321078 0.80 RBP4 (0.66) GPR119RBP4
SCHEMBL3436365 0.77 GPR119 (0.58) GPR119KDM4EPKMNAMPTMEN1
SCHEMBL2191425 0.77 GPR119 (0.57) GPR119KDM4EPKMNAMPTMEN1
SCHEMBL29805245 0.77 GPR119 (0.57) GPR119KDM4EPKMNAMPTMEN1
SCHEMBL21953943 0.76 GPR119 (0.56) GPR119KDM4EPKMNAMPTMEN1
SCHEMBL1613087 0.76 GPR119 (0.56) GPR119KDM4EPKMNAMPTTHRB
SCHEMBL17871674 0.76 ALDH1A1 (0.52) RBP4KDM4E
SCHEMBL6589130 0.76 CHRM3 (0.58) RBP4
SCHEMBL2102993 0.76 GPR119 (0.53) GPR119KDM4EPKMNAMPTMEN1

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-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed