SCHEMBL20459104

SCHEMBL20459104

N#CC1(c2ccc3ccccc3c2)CC1CO

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
SLC6A4 P31645 9/20 0.40
SLC6A3 Q01959 9/20 0.40
SLC6A2 P23975 3/20 0.38
OPRL1 P41146 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
SCHEMBL13698123 1.00 OPRM1 (0.42) OPRM1SLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL17303200 1.00 OPRM1 (0.42) OPRM1SLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL13698121 1.00 OPRM1 (0.42) OPRM1SLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL4194504 1.00 OPRM1 (0.42) OPRM1SLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL4185836 1.00 OPRM1 (0.42) OPRM1SLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL13698275 0.81 OPRM1 (0.46) OPRM1SLC6A4SLC6A3SLC6A2
SCHEMBL4402453 0.81 PTGS2 (0.36) OPRM1
SCHEMBL8927314 0.81 PTGS2 (0.36) OPRM1
SCHEMBL13224854 0.81 PTGS2 (0.36) OPRM1
SCHEMBL13224856 0.81 PTGS2 (0.36) OPRM1

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
EP-2719384-B1 Novel 1-naphthyl-3-azabicyclo[3.1.0]hexanes:preparation and use to treat neuropsychiatric disorders OTSUKA AMERICA PHARMACEUTICAL INC (US) 2018-08-08 EP disclosed