SCHEMBL11049139

SCHEMBL11049139

C=CC(C)(C)CN[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.58
▸ OPRK1 P41145 7/20 0.58

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
SCHEMBL10366060 0.85 OPRM1 (0.68) OPRM1OPRK1
SCHEMBL10366061 0.85 OPRM1 (0.68) OPRM1OPRK1
Hydrochloric Acid SCHEMBL10368352 0.85 OPRM1 (0.70) OPRM1OPRK1
Hydrochloric Acid SCHEMBL10368351 0.85 OPRM1 (0.70) OPRM1OPRK1
SCHEMBL10366106 0.83 OPRM1 (0.62) OPRM1OPRK1
SCHEMBL10366107 0.83 OPRM1 (0.62) OPRM1OPRK1
Hydrochloric Acid SCHEMBL10683355 0.82 OPRM1 (0.64) OPRM1OPRK1
SCHEMBL10366719 0.80 OPRM1 (0.66) OPRM1OPRK1
SCHEMBL10366721 0.80 OPRM1 (0.66) OPRM1OPRK1
Hydrochloric Acid SCHEMBL10670575 0.79 OPRM1 (0.67) OPRM1OPRK1

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-0147085-A2 Substituted trans-1.2-diaminocyclohexyl amide compounds WARNER-LAMBERT COMPANY (US) 1985-07-03 — — EP claimed
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