SCHEMBL11535210

SCHEMBL11535210

COc1cccc([C@]23CCCC[C@H]2CN(CCCCc2ccccc2)CC3)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
GRIN1 Q05586 2/20 0.50
GRIN2B Q13224 2/20 0.50
OPRM1 P35372 2/20 0.49
SIGMAR1 Q99720 1/20 0.49
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48

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
SCHEMBL11535214 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3GRIN1GRIN2B
SCHEMBL11194100 0.93 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3OPRM1SIGMAR1
SCHEMBL11194103 0.93 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3OPRM1SIGMAR1
SCHEMBL11536050 0.93 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3OPRM1SIGMAR1
SCHEMBL11191206 0.88 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL11191207 0.88 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL11194276 0.87 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3OPRM1SIGMAR1
SCHEMBL11194278 0.87 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3OPRM1SIGMAR1
SCHEMBL11535795 0.86 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL11535799 0.86 OPRM1 (0.66) OPRM1OPRD1OPRK1

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