SCHEMBL9529600

SCHEMBL9529600

CN(C)CC1c2cccc(O)c2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.72
OPRK1 P41145 7/20 0.72

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
Fumaric Acid SCHEMBL10517419 0.94 OPRD1 (0.66) OPRD1OPRK1
Fumaric Acid SCHEMBL10517432 0.94 OPRD1 (0.66) OPRD1OPRK1
SCHEMBL9529938 0.93 OPRK1 (0.68) OPRD1OPRK1
SCHEMBL9528803 0.89 OPRK1 (0.62) OPRD1OPRK1
SCHEMBL10517428 0.86 OPRD1 (0.60) OPRD1OPRK1
SCHEMBL9815269 0.86 OPRD1 (0.83) OPRD1OPRK1
SCHEMBL9529202 0.85 OPRK1 (0.68) OPRD1OPRK1
Hydrochloric Acid SCHEMBL9815302 0.85 OPRD1 (0.81) OPRD1OPRK1
SCHEMBL9527997 0.84 OPRD1 (1.00) OPRD1OPRK1
Hydrochloric Acid SCHEMBL9528605 0.83 OPRD1 (1.00) OPRD1OPRK1

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-0330360-B1 1,2,3,4-Tetrahydroisoquinolines, processes for their preparation, and their use as kappa-receptor agonists SMITHKLINE BEECHAM FARMA (IT) 1993-12-01 EP claimed
EP-0330360-A1 1,2,3,4-Tetrahydroisoquinolines, processes for their preparation, and their use as kappa-receptor agonists SmithKline Beecham Farmaceutici S.p.A. (IT) 1989-08-30 EP claimed