SCHEMBL4776118

SCHEMBL4776118

COc1cccc(C(=O)[C@@H]2CCCCN2C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.51
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRNB2 P17787 1/20 0.49
SLC6A2 P23975 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CHRND Q07001 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
PREP P48147 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46

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
SCHEMBL26698259 0.86 KDM2B (0.57) KDM2BCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL8222788 0.85 USP30 (0.53) KDM2BCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL20482125 0.84 KDM2B (0.52) KDM2BALDH1A1HCRTR1HCRTR2MEN1
SCHEMBL20482103 0.84 KDM2B (0.52) KDM2BALDH1A1HCRTR1HCRTR2MEN1
SCHEMBL4780546 0.83 CNR2 (0.41) KDM2BALDH1A1TSHR
SCHEMBL4725359 0.82 DRD2 (0.42) KDM2B
SCHEMBL4776003 0.82 MGLL (0.48) ALDH1A1MGLL
SCHEMBL3088285 0.81 MCL1 (0.46) ALDH1A1
SCHEMBL5172182 0.81 MCL1 (0.46) ALDH1A1
SCHEMBL3518713 0.81 HPGD (0.51) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed