SCHEMBL11533477

SCHEMBL11533477

Oc1cccc([C@]23CCCC[C@H]2CN(CCc2ccccc2)CC3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.70
OPRD1 P41143 12/20 0.70
OPRK1 P41145 12/20 0.70

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
SCHEMBL11193098 1.00 OPRM1 (0.70) OPRM1OPRD1OPRK1
SCHEMBL11193094 1.00 OPRM1 (0.70) OPRM1OPRD1OPRK1
SCHEMBL11254924 0.97 OPRM1 (0.67) OPRM1OPRD1OPRK1
Bromide SCHEMBL11267877 0.96 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL11535795 0.93 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL11535799 0.93 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL11632103 0.91 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL11535292 0.91 OPRM1 (0.66) OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL11533289 0.90 OPRK1 (0.65) OPRM1OPRD1OPRK1
SCHEMBL11533931 0.89 SLC6A2 (0.56) 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 3 patents. 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 claimed
US-4150135-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-17 US disclosed
US-4150135-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-17 US disclosed