SCHEMBL11207325

SCHEMBL11207325

COc1ccc(C(=O)C(C)N2CCCC(n3c(=O)[nH]c4ccccc43)C2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.54
TLR9 Q9NR96 1/20 0.48
TLR8 Q9NR97 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
PLD1 Q13393 9/20 0.48
PLD2 O14939 7/20 0.48
OPRK1 P41145 2/20 0.47
OPRM1 P35372 3/20 0.47
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL11205387 0.91 PLD1 (0.56) HSD11B1PLD1PLD2OPRK1OPRM1
SCHEMBL11033800 0.89 HSD11B1 (0.62) HSD11B1TLR9TLR8TLR7PLD1
SCHEMBL11250457 0.82 OPRM1 (0.52) HSD11B1OPRK1OPRM1
SCHEMBL11032636 0.80 PLD1 (0.64) HSD11B1PLD1PLD2OPRK1OPRM1
SCHEMBL11221912 0.79 HSD11B1 (0.50) HSD11B1TLR9TLR8TLR7PLD1
SCHEMBL11206461 0.78 HSD11B1 (0.64) HSD11B1PLD1PLD2OPRM1DRD2
SCHEMBL25160058 0.78 OPRM1 (0.60) PLD1PLD2OPRK1OPRM1
SCHEMBL11217080 0.77 PLD2 (0.50) HSD11B1PLD1PLD2OPRK1OPRM1
SCHEMBL10416280 0.77 OPRM1 (0.63) HSD11B1PLD1PLD2OPRK1OPRM1
SCHEMBL11206487 0.77 PLD1 (0.51) HSD11B1PLD1PLD2OPRM1

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