SCHEMBL8909463

SCHEMBL8909463

CCCCCN1CCN(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.74
OPRM1 P35372 3/20 0.72
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
OPRK1 P41145 1/20 0.58

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
SCHEMBL5518894 0.86 OPRD1 (0.69) OPRD1OPRM1OPRK1
SCHEMBL5526539 0.86 OPRD1 (0.69) OPRD1OPRM1OPRK1
SCHEMBL5518882 0.86 OPRD1 (0.69) OPRD1OPRM1OPRK1
SCHEMBL6791764 0.85 OPRD1 (1.00) OPRD1OPRM1CYP1A2CYP3A4OPRK1
Hydrochloric Acid SCHEMBL6791215 0.85 OPRD1 (0.71) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL5976396 0.84 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL5975409 0.84 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL5975405 0.84 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL5528556 0.83 OPRD1 (0.71) OPRD1OPRM1OPRK1
SCHEMBL5531105 0.83 OPRD1 (0.71) OPRD1OPRM1OPRK1

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
WO-1997023466-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1997-07-03 WO claimed