SCHEMBL9528674

SCHEMBL9528674

CN(C)CC1c2ccc(Cl)cc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.70
OPRK1 P41145 6/20 0.68

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
Hydrochloric Acid SCHEMBL9531229 0.99 OPRD1 (0.69) OPRD1OPRK1
SCHEMBL9528122 0.92 OPRK1 (0.71) OPRD1OPRK1
SCHEMBL9529202 0.92 OPRK1 (0.68) OPRD1OPRK1
SCHEMBL9815269 0.89 OPRD1 (0.83) OPRD1OPRK1
SCHEMBL9529417 0.88 OPRK1 (0.64) OPRD1OPRK1
Hydrochloric Acid SCHEMBL9815302 0.88 OPRD1 (0.81) OPRD1OPRK1
Hydrochloric Acid SCHEMBL9530248 0.88 OPRK1 (0.62) OPRD1OPRK1
SCHEMBL9528102 0.85 OPRK1 (0.67) OPRD1OPRK1
SCHEMBL9529917 0.84 OPRD1 (0.80) OPRD1OPRK1
SCHEMBL9529938 0.84 OPRK1 (0.68) 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