SCHEMBL8155338

SCHEMBL8155338

CCN(CC)C(=O)c1ccc(C(c2ccc(N3CCCCC3)cc2)N2CCCCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.77
OPRM1 P35372 8/20 0.61
OPRK1 P41145 3/20 0.61

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
SCHEMBL6791709 0.87 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL8529558 0.76 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL8393489 0.74 OPRD1 (0.78) OPRD1OPRM1OPRK1
SCHEMBL6791944 0.74 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL4935999 0.74 OPRD1 (0.80) OPRD1OPRM1OPRK1
Hydrochloric Acid SCHEMBL6796562 0.74 OPRD1 (0.98) OPRD1OPRM1OPRK1
Hydrochloric Acid SCHEMBL6792603 0.73 OPRD1 (0.76) OPRD1OPRM1OPRK1
SCHEMBL5208230 0.72 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL6796353 0.71 OPRD1 (0.79) OPRD1OPRM1OPRK1
Hydrochloric Acid SCHEMBL6139939 0.71 OPRD1 (0.53) 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
US-6130222-A Compounds with analgesic effect ASTRA PHARMA INC. (CA) 2000-10-10 US disclosed