SCHEMBL6865749

SCHEMBL6865749

CCN(CC)C(=O)c1ccc(N(c2ccc(C)cc2)C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 19/20 0.83
OPRM1 P35372 16/20 0.83
OPRK1 P41145 13/20 0.83

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
SCHEMBL6394863 0.95 OPRD1 (0.88) OPRD1OPRM1OPRK1
SCHEMBL6870724 0.88 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL6395178 0.88 OPRD1 (0.78) OPRD1OPRM1OPRK1
SCHEMBL6327345 0.87 OPRD1 (0.86) OPRD1OPRM1OPRK1
SCHEMBL5491700 0.87 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL5495175 0.86 OPRD1 (0.86) OPRD1OPRM1OPRK1
SCHEMBL5485654 0.85 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL6393279 0.85 OPRD1 (0.87) OPRD1OPRM1OPRK1
SCHEMBL14492937 0.85 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL6176767 0.84 OPRD1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1428821-A1 Piperidin-4-yl amines with analgesic effect AstraZeneca AB (SE) 2004-06-16 EP disclosed
EP-0946510-B1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRAZENECA AB (SE) 2004-05-12 EP disclosed
US-6399635-B1 N,N-DIETHYL-4-(N-PIPERIDIN-3-YL-ANILINO) BENZAMIDE COMPOUND; REDUCTIVE AMINATION OF A 3-PIPERIDONE, ARYLATION ASTRAZENECA CANADA INC. (CA) 2002-06-04 US disclosed
US-6153626-A Compounds with analgesic effect ASTRA PHARMA INC. (CA) 2000-11-28 US disclosed