SCHEMBL11258172

SCHEMBL11258172

COc1cc(C(O)C(C)N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.58
HSD11B1 P28845 1/20 0.55
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
SLC6A4 P31645 1/20 0.51
DRD3 P35462 1/20 0.51
PLD1 Q13393 4/20 0.49
PLD2 O14939 3/20 0.49
CHRM1 P11229 1/20 0.45

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
SCHEMBL11251753 0.91 OPRM1 (0.60) OPRM1HSD11B1HTR1AADRA2ADRD2
SCHEMBL11033261 0.88 OPRM1 (0.60) OPRM1HSD11B1PLD1PLD2
SCHEMBL11222098 0.84 HSD11B1 (0.62) OPRM1HSD11B1HTR1AADRA2ADRD2
SCHEMBL11031960 0.79 OPRM1 (0.62) OPRM1HSD11B1PLD1PLD2
SCHEMBL7709273 0.78 OPRM1 (0.72) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL11217080 0.78 PLD2 (0.50) OPRM1HSD11B1PLD1PLD2
SCHEMBL11206461 0.77 HSD11B1 (0.64) OPRM1HSD11B1HTR1AADRA2ADRD2
SCHEMBL10693662 0.76 OPRM1 (0.55) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL25802931 0.76 OPRM1 (0.70) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL11256014 0.76 OPRM1 (0.47) OPRM1HSD11B1PLD1PLD2

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
EP-0092391-A2 Novel piperidine derivatives and pharmaceutical compositions containing same KYOWA HAKKO KOGYO CO., LTD (JP) 1983-10-26 EP disclosed