SCHEMBL6252280

SCHEMBL6252280

CN(CCc1ccccc1N1CC[C@H](O)C1)C(=O)CNc1ccc(CN)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 12/20 0.42
CYP2D6 P10635 11/20 0.42
AOC3 Q16853 1/20 0.35
NAPEPLD Q6IQ20 3/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
TPH1 P17752 1/20 0.34
STAT6 P42226 1/20 0.33

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
SCHEMBL6250215 0.91 OPRK1 (0.50) OPRK1CYP2D6NAPEPLD
SCHEMBL6250186 0.87 OPRK1 (0.57) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6247456 0.86 OPRK1 (0.54) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6250833 0.86 OPRK1 (0.54) OPRK1CYP2D6
SCHEMBL6248817 0.86 OPRK1 (0.54) OPRK1CYP2D6
SCHEMBL6250179 0.86 OPRK1 (0.55) OPRK1CYP2D6
SCHEMBL6249594 0.85 OPRK1 (0.55) OPRK1CYP2D6
SCHEMBL6247648 0.84 OPRK1 (0.57) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6249600 0.82 CYP2D6 (0.56) OPRK1CYP2D6
SCHEMBL6250180 0.81 OPRK1 (0.58) OPRK1CYP2D6NAPEPLDOPRM1OPRD1

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-2005049564-A1 AMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-06-02 WO disclosed