SCHEMBL8909454

SCHEMBL8909454

CCCCCN1CCN(c2c(Cc3ccc(C(=O)N(CC)CC)cc3)cccc2OC)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.50
HTR1A P08908 1/20 0.47
OPRD1 P41143 3/20 0.46
OPRM1 P35372 2/20 0.46
OPRK1 P41145 1/20 0.46
DRD3 P35462 3/20 0.43
DRD4 P21917 2/20 0.42

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
SCHEMBL6791759 0.86 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL6247380 0.75 LPAR1 (0.56) OPRD1OPRM1
SCHEMBL2048377 0.74 HSP90AA1 (0.52) OPRD1OPRM1
SCHEMBL2042054 0.74 USP2 (0.43) OPRD1OPRM1OPRK1
SCHEMBL6797137 0.73 ALDH1A1 (0.54) OPRD1OPRM1
SCHEMBL251637 0.73 OPRD1 (0.50) OPRD1OPRM1OPRK1
SCHEMBL252533 0.73 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL2047556 0.73 USP2 (0.42) OPRD1OPRM1OPRK1
SCHEMBL2052119 0.72 OPRD1 (0.46) OPRD1OPRM1OPRK1
SCHEMBL6796380 0.70 OPRM1 (0.53) OPRD1OPRM1

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