SCHEMBL7849321

SCHEMBL7849321

COc1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 1.00
OPRK1 P41145 2/20 0.77
OPRL1 P41146 1/20 0.77
OPRD1 P41143 1/20 0.74
DRD2 P14416 2/20 0.66
DRD4 P21917 2/20 0.66
DRD3 P35462 2/20 0.66
PLD2 O14939 1/20 0.65
PLD1 Q13393 1/20 0.65
AKT1 P31749 1/20 0.64
AKT2 P31751 1/20 0.64
AKT3 Q9Y243 1/20 0.64

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
SCHEMBL3665096 0.87 OPRM1 (1.00) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL20763210 0.85 OPRM1 (1.00) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL5774325 0.84 OPRM1 (0.78) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL22605511 0.83 OPRM1 (0.71) OPRM1OPRK1OPRD1DRD2DRD4
SCHEMBL29518448 0.83 OPRM1 (0.71) OPRM1OPRK1OPRD1DRD2DRD4
SCHEMBL4446720 0.83 PLD2 (0.72) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL8863557 0.83 OPRM1 (0.91) OPRM1OPRK1OPRL1DRD2DRD4
Oxalic Acid SCHEMBL5778025 0.83 OPRM1 (0.91) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL12375874 0.82 OPRM1 (0.77) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL7068005 0.82 OPRM1 (0.84) OPRM1OPRK1OPRL1OPRD1DRD2

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-1142587-A1 REMEDIES FOR PAIN MEIJI SEIKA KAISHA LTD. (JP) 2001-10-10 EP disclosed