SCHEMBL11222098

SCHEMBL11222098

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.62
OPRM1 P35372 7/20 0.55
PLD1 Q13393 7/20 0.54
PLD2 O14939 6/20 0.54
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
CHRM1 P11229 3/20 0.49

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
SCHEMBL11206461 0.91 HSD11B1 (0.64) HSD11B1OPRM1PLD1PLD2HTR1A
SCHEMBL11032636 0.88 PLD1 (0.64) HSD11B1OPRM1PLD1PLD2
SCHEMBL11258172 0.84 OPRM1 (0.58) HSD11B1OPRM1PLD1PLD2HTR1A
SCHEMBL11033800 0.79 HSD11B1 (0.62) HSD11B1OPRM1PLD1PLD2
SCHEMBL7709273 0.78 OPRM1 (0.72) OPRM1PLD1PLD2HTR1AADRA2A
SCHEMBL11205387 0.78 PLD1 (0.56) HSD11B1OPRM1PLD1PLD2DRD2
SCHEMBL11251753 0.77 OPRM1 (0.60) HSD11B1OPRM1PLD1PLD2HTR1A
SCHEMBL10712205 0.76 PLD1 (0.53) HSD11B1OPRM1PLD1PLD2HTR1A
SCHEMBL25802931 0.76 OPRM1 (0.70) OPRM1PLD1PLD2HTR1AADRA2A
SCHEMBL11199327 0.76 PLD1 (0.51) HSD11B1OPRM1PLD1PLD2

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