SCHEMBL10538680

SCHEMBL10538680

[Li]c1ccccc1C1CCC2CCCN21

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CHRNA7 P36544 1/20 0.36

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
SCHEMBL10375490 0.95 HRH3 (0.43) OPRM1OPRK1HRH3
SCHEMBL9687389 0.93 OPRM1 (0.42) OPRM1OPRK1CHRNA7
SCHEMBL10763691 0.89 OPRM1 (0.43) OPRM1OPRK1HRH3CHRNA7
SCHEMBL10538576 0.80 ALDH1A1 (0.43) OPRM1OPRK1HRH3CHRNA7
SCHEMBL10538934 0.76 PPID (0.39) OPRM1OPRK1HRH3
SCHEMBL10376883 0.75 HRH3 (0.43) OPRM1OPRK1HRH3
SCHEMBL10375596 0.75 HRH3 (0.43) OPRM1OPRK1HRH3
SCHEMBL10761904 0.75 HRH3 (0.43) OPRM1OPRK1HRH3
SCHEMBL10375779 0.75 HRH3 (0.43) OPRM1OPRK1HRH3CHRNA7
SCHEMBL10921603 0.75 ABCB1 (0.45) OPRM1OPRK1HRH3

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
US-4800207-A Hexahydropyrrolizine compounds useful as analgesics MCNEILAB, INC. (US) 1989-01-24 US disclosed