SCHEMBL9687389

SCHEMBL9687389

[Li]c1ccccc1C1CCCC2CCCN21

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
OPRK1 P41145 2/20 0.42
CHRNA7 P36544 1/20 0.39

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
SCHEMBL10763691 0.95 OPRM1 (0.43) OPRM1OPRK1CHRNA7
SCHEMBL10538680 0.93 OPRM1 (0.39) OPRM1OPRK1CHRNA7
SCHEMBL10375490 0.89 HRH3 (0.43) OPRM1OPRK1
SCHEMBL10740465 0.80 OPRM1 (0.42) OPRM1OPRK1CHRNA7
Hydrochloric Acid SCHEMBL9688043 0.79 OPRM1 (0.41) OPRM1OPRK1CHRNA7
SCHEMBL27696263 0.76 GAA (0.47) OPRM1OPRK1
SCHEMBL27677696 0.76 OPRM1 (0.39) OPRM1OPRK1CHRNA7
SCHEMBL10764392 0.75 OPRM1 (0.43) OPRM1OPRK1CHRNA7
SCHEMBL10763462 0.75 OPRM1 (0.43) OPRM1OPRK1CHRNA7
SCHEMBL13660513 0.75 CHRNB2 (0.56) OPRM1OPRK1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237169-B1 5-SUBSTITUTED OCTAHYDROINDOLIZINE ANALGESICS COMPOUNDS AND 7-KETO INTERMEDIATES McNeilab, Inc. (US) 1992-07-08 EP disclosed
EP-0237169-A1 5-Substituted octahydroindolizine analgesics compounds and 7-keto intermediates McNeilab, Inc. (US) 1987-09-16 EP disclosed
US-4689329-A 5-substituted octahydroindolizine analgesics compounds and 7-keto intermediates MCNEILAB, INC. (US) 1987-08-25 US disclosed