SCHEMBL12019477

SCHEMBL12019477

CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)N2C3CCC4C2CCC3N4C)cc1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.65
OPRM1 P35372 3/20 0.65
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63

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
SCHEMBL1985228 0.89 OPRD1 (0.65) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL1988467 0.89 OPRD1 (0.65) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL12564507 0.89 OPRD1 (0.65) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL12564520 0.89 OPRD1 (0.65) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL12564541 0.89 OPRD1 (0.69) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL1987098 0.89 OPRD1 (0.69) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL1987818 0.89 OPRD1 (0.69) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL12564583 0.89 OPRD1 (0.69) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL12564486 0.88 OPRM1 (0.58) OPRD1OPRM1
SCHEMBL12564479 0.88 OPRM1 (0.58) OPRD1OPRM1

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-2338889-B1 Diazacyclic compounds having affinity for opioid receptors NEUROSCIENZE PHARMANESS S C A R L (IT) 2012-08-29 EP disclosed