SCHEMBL3944352

SCHEMBL3944352

CSc1ccc(Oc2ccc(N3CCN(C4CC4)CC3)cc2CC(N)I)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.49
HRH3 Q9Y5N1 12/20 0.49
SLC6A2 P23975 9/20 0.49
SLC6A3 Q01959 9/20 0.49

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
SCHEMBL3948625 0.96 SLC6A4 (0.45) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4036120 0.86 SLC6A4 (0.48) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4014177 0.83 SLC6A4 (0.68) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL3941657 0.80 HRH3 (0.48) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4164296 0.80 SLC6A4 (0.43) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL3941581 0.80 SLC6A4 (0.68) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4164302 0.79 SLC6A4 (0.41) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4016704 0.79 SLC6A4 (0.64) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4164299 0.77 SLC6A4 (0.46) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL3944161 0.74 SLC6A4 (0.59) SLC6A4HRH3SLC6A2SLC6A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049473-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-22 EP disclosed
WO-2008002820-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO disclosed