SCHEMBL1076007

SCHEMBL1076007

CNC(CCOc1ccc2c(c1)CN(C)CC2c1ccc(OC)cc1)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.66
HRH3 Q9Y5N1 20/20 0.66

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
SCHEMBL1033245 0.83 SLC6A4 (0.76) SLC6A4HRH3
SCHEMBL1038486 0.83 SLC6A4 (0.68) SLC6A4HRH3
SCHEMBL1034779 0.81 SLC6A4 (0.80) SLC6A4HRH3
SCHEMBL1035652 0.81 SLC6A4 (0.75) SLC6A4HRH3
SCHEMBL1038748 0.81 SLC6A4 (0.75) SLC6A4HRH3
SCHEMBL1037509 0.81 SLC6A4 (0.76) SLC6A4HRH3
SCHEMBL1037389 0.80 SLC6A4 (1.00) SLC6A4HRH3
SCHEMBL1033191 0.79 SLC6A4 (0.90) SLC6A4HRH3
SCHEMBL1036917 0.79 SLC6A4 (0.72) SLC6A4HRH3
SCHEMBL1036916 0.79 SLC6A4 (0.86) SLC6A4HRH3

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-1831173-B1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2011-01-26 EP claimed