SCHEMBL11533931

SCHEMBL11533931

c1ccc(CCN2CC[C@@]3(c4ccccc4)CCCC[C@H]3C2)cc1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56
OPRM1 P35372 9/20 0.52
OPRK1 P41145 9/20 0.52
OPRD1 P41143 8/20 0.52
SIGMAR1 Q99720 3/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL11533934 1.00 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL11260608 0.96 OPRM1 (0.50) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
Bromide SCHEMBL11248173 0.95 OPRM1 (0.49) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL11193094 0.89 OPRM1 (0.70) OPRM1OPRK1OPRD1
SCHEMBL11537943 0.89 OPRM1 (0.53) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL11193098 0.89 OPRM1 (0.70) OPRM1OPRK1OPRD1
SCHEMBL11537945 0.89 OPRM1 (0.53) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL11533477 0.89 OPRM1 (0.70) OPRM1OPRK1OPRD1
SCHEMBL11194100 0.87 SLC6A4 (0.61) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL11536050 0.87 SLC6A4 (0.61) SLC6A2SLC6A4SLC6A3OPRM1OPRK1

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-4150135-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-17 US disclosed