SCHEMBL5197210

SCHEMBL5197210

CCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1[C@@H]2C1CCN(Cc2ccoc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.46
OPRM1 P35372 12/20 0.46
OPRK1 P41145 11/20 0.46

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
SCHEMBL5096995 1.00 OPRD1 (0.46) OPRD1OPRM1OPRK1
SCHEMBL5090887 0.90 OPRD1 (0.38) OPRD1OPRM1OPRK1
SCHEMBL5094820 0.90 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL5197378 0.86 OPRM1 (0.42) OPRD1OPRM1OPRK1
SCHEMBL5094888 0.84 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL5095011 0.83 OPRD1 (0.46) OPRD1OPRM1OPRK1
SCHEMBL490138 0.83 OPRD1 (0.47) OPRD1OPRM1OPRK1
SCHEMBL5094709 0.83 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL5090812 0.83 OPRD1 (0.50) OPRD1OPRM1OPRK1
SCHEMBL5090930 0.82 OPRD1 (0.48) OPRD1OPRM1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP disclosed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed