SCHEMBL7207726

SCHEMBL7207726

CC(C)S[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@H]1N

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.72
OPRD1 P41143 6/20 0.72
OPRK1 P41145 6/20 0.72

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
SCHEMBL7207717 1.00 OPRM1 (0.72) OPRM1OPRD1OPRK1
SCHEMBL7207722 1.00 OPRM1 (0.72) OPRM1OPRD1OPRK1
SCHEMBL7668886 0.86 OPRM1 (0.64) OPRM1OPRD1OPRK1
SCHEMBL7668871 0.86 OPRM1 (0.64) OPRM1OPRD1OPRK1
SCHEMBL7668878 0.86 OPRM1 (0.64) OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7670456 0.85 OPRM1 (0.63) OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7670458 0.85 OPRM1 (0.63) OPRM1OPRD1OPRK1
SCHEMBL7212882 0.84 OPRM1 (1.00) OPRM1OPRD1OPRK1
SCHEMBL7212881 0.84 OPRM1 (1.00) OPRM1OPRD1OPRK1
SCHEMBL7655297 0.84 OPRM1 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003502277-A 2003-01-21 JP claimed
US-6498196-B1 THIO-AMINOTETRALINS; ANALGESICS; OPIOID RECEPTOR AFFINITY; SIDE EFFECT REDUCTION ASTRAZENECA CANADA INC. (CA) 2002-12-24 US claimed
EP-1140815-A1 NOVEL THIO-AMINOTETRALIN COMPOUNDS USEFUL IN PAIN MANAGEMENT AstraZeneca AB (SE) 2001-10-10 EP claimed
WO-2000037438-A1 NOVEL THIO-AMINOTETRALIN COMPOUNDS USEFUL IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 2000-06-29 WO claimed
US-6498196-B1 THIO-AMINOTETRALINS; ANALGESICS; OPIOID RECEPTOR AFFINITY; SIDE EFFECT REDUCTION ASTRAZENECA CANADA INC. (CA) 2002-12-24 US disclosed