SCHEMBL4036120

SCHEMBL4036120

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.48
HRH3 Q9Y5N1 12/20 0.48
SLC6A2 P23975 5/20 0.48
SLC6A3 Q01959 5/20 0.48
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL3944352 0.86 SLC6A4 (0.49) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL3948625 0.84 SLC6A4 (0.45) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4028648 0.84 SLC6A4 (0.48) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL4019279 0.83 SLC6A4 (0.68) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4018512 0.80 SLC6A4 (0.67) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4011059 0.76 SLC6A4 (0.49) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL3947480 0.71 SLC6A4 (0.60) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4013994 0.71 SLC6A4 (0.60) SLC6A4HRH3SLC6A2SLC6A3KDM4E
SCHEMBL4017793 0.71 SLC6A4 (0.64) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4013771 0.69 SLC6A4 (0.62) 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