SCHEMBL7670096

SCHEMBL7670096

COc1ccc2c(c1)C(C)(C)[C@@H](N)[C@H](SC)C2

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.66
OPRD1 P41143 4/20 0.66
OPRK1 P41145 4/20 0.66
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
KDM1A O60341 1/20 0.38
POLA1 P09884 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
CA2 P00918 1/20 0.37

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
SCHEMBL7661857 1.00 OPRM1 (0.66) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL7670083 1.00 OPRM1 (0.66) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL7661852 1.00 OPRM1 (0.66) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL7661867 1.00 OPRM1 (0.66) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL7666333 0.83 OPRM1 (0.46) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL11290168 0.80 DRD2 (0.50) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL7212881 0.79 OPRM1 (1.00) OPRM1OPRD1OPRK1
SCHEMBL7212882 0.79 OPRM1 (1.00) OPRM1OPRD1OPRK1
SCHEMBL7655297 0.79 OPRM1 (1.00) OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL11291604 0.79 DRD2 (0.49) OPRM1OPRD1OPRK1DRD2DRD3

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-6498196-B1 THIO-AMINOTETRALINS; ANALGESICS; OPIOID RECEPTOR AFFINITY; SIDE EFFECT REDUCTION ASTRAZENECA CANADA INC. (CA) 2002-12-24 US disclosed