SCHEMBL14282923

SCHEMBL14282923

CCCC(=O)[C@H](CS)NOC(=O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.41
OPRK1 P41145 5/20 0.41
OPRM1 P35372 4/20 0.41
SETD7 Q8WTS6 1/20 0.37
HTR7 P34969 1/20 0.36

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
SCHEMBL14282925 0.91 OPRD1 (0.45) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL14282939 0.80 BACE1 (0.46)
SCHEMBL14282904 0.73 OPRD1 (0.50) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL14282906 0.71 PRCP (0.44)
SCHEMBL14282903 0.69 CHRM2 (0.47) OPRK1OPRM1
SCHEMBL4257154 0.68 SETD7 (0.56) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL14198385 0.68 SETD7 (0.65) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL14282965 0.67 NPC1 (0.56) OPRD1OPRK1OPRM1SETD7
SCHEMBL4563119 0.67 OPRD1 (0.54) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL11036336 0.66 SETD7 (0.53) OPRD1OPRK1OPRM1SETD7HTR7

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-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed