SCHEMBL20458959

SCHEMBL20458959

c1ccc2c([C@]34CNCC3C4)cccc2c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.55
SLC6A4 P31645 6/20 0.55
SLC6A3 Q01959 6/20 0.55
KCNH2 Q12809 1/20 0.45

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
SCHEMBL31284256 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4187080 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4185566 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4183204 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL4190202 0.98 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL4177122 0.98 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL4180228 0.98 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4187711 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL20450301 0.79 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL20298279 0.79 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2

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