SCHEMBL2669170

SCHEMBL2669170

C[C@H]([C@H](O)c1ccccc1)C(C)(N)C(=O)Cc1ccc(SC2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.37
CCR5 P51681 1/20 0.36
KDM4E B2RXH2 2/20 0.35
OPRK1 P41145 2/20 0.33
CYP2D6 P10635 1/20 0.33
GAA P10253 1/20 0.33
EPHX1 P07099 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
LMNA P02545 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL1107442 0.78 NPY5R (0.63) NPY5RCCR5KDM4EOPRK1CYP2D6
SCHEMBL1861999 0.78 NPY5R (0.63) NPY5RCCR5KDM4EOPRK1CYP2D6
SCHEMBL2652609 0.78 NPY5R (0.63) NPY5RCCR5KDM4EOPRK1CYP2D6
SCHEMBL6180303 0.73 HPGD (0.33) KDM4EHPGDLMNA
SCHEMBL2669016 0.71
SCHEMBL2668110 0.68 NPY5R (0.43) NPY5RCCR5OPRK1CYP2D6ALDH1A1
SCHEMBL1107504 0.68 CA2 (0.48) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL12593796 0.67 POLB (0.42) LMNA
SCHEMBL835376 0.66 KDM4E (0.48) KDM4EALDH1A1MAPTADRA2AADRA2C
SCHEMBL14285930 0.65 GAA (0.48) NPY5RCCR5KDM4EGAAALDH1A1

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-2007051847-A1 TRICYCLO SUBSTITUTED AMIDES AS GLUCOKINASE MODULATORS PROSIDION LTD (GB) 2007-05-10 WO disclosed