SCHEMBL8529558

SCHEMBL8529558

CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 1.00
OPRM1 P35372 11/20 1.00
OPRK1 P41145 4/20 1.00

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
Hydrochloric Acid SCHEMBL6796562 0.94 OPRD1 (0.98) OPRD1OPRM1OPRK1
SCHEMBL6791709 0.88 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL6791944 0.85 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL4935999 0.85 OPRD1 (0.80) OPRD1OPRM1OPRK1
SCHEMBL3131262 0.84 OPRD1 (0.79) OPRD1OPRM1OPRK1
SCHEMBL6793874 0.84 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL5172313 0.84 OPRD1 (0.78) OPRD1OPRM1OPRK1
SCHEMBL5173916 0.84 OPRD1 (0.78) OPRD1OPRM1OPRK1
SCHEMBL5175127 0.84 OPRD1 (0.78) OPRD1OPRM1OPRK1
SCHEMBL5174056 0.84 OPRD1 (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873322-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1998-10-28 EP disclosed
WO-1997023467-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1997-07-03 WO disclosed