SCHEMBL3941657

SCHEMBL3941657

NC(I)Cc1cc(N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.48
SLC6A4 P31645 10/20 0.48
SLC6A2 P23975 5/20 0.48
SLC6A3 Q01959 5/20 0.48
SOS1 Q07889 2/20 0.41
TP53BP1 Q12888 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2A P28223 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 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
SCHEMBL3942750 0.83 SLC6A4 (0.68) HRH3SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL4028648 0.82 SLC6A4 (0.48) HRH3SLC6A4SLC6A2SLC6A3SOS1
SCHEMBL3944352 0.80 SLC6A4 (0.49) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL4019960 0.79 SLC6A4 (0.68) HRH3SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL3948625 0.79 SLC6A4 (0.45) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL4164296 0.76 SLC6A4 (0.43) HRH3SLC6A4SLC6A2SLC6A3SOS1
SCHEMBL4013399 0.76 HRH3 (0.46) HRH3SLC6A4SLC6A2SLC6A3SOS1
SCHEMBL4164302 0.75 SLC6A4 (0.41) HRH3SLC6A4SLC6A2SLC6A3SOS1
SCHEMBL4164299 0.73 SLC6A4 (0.46) HRH3SLC6A4SLC6A2SLC6A3SOS1
SCHEMBL3941094 0.69 SLC6A4 (0.67) HRH3SLC6A4SLC6A2SLC6A3HTR2A

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