SCHEMBL3943015

SCHEMBL3943015

CNCc1cc(CN2CCN(C(C)C)CC2)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.66
HRH3 Q9Y5N1 7/20 0.66
SLC6A2 P23975 1/20 0.66
SLC6A3 Q01959 1/20 0.66
HTR2A P28223 12/20 0.57
KCNH2 Q12809 11/20 0.57
SOS1 Q07889 1/20 0.50

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
SCHEMBL3951463 0.86 SLC6A4 (0.61) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL3943608 0.86 SLC6A4 (0.52) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL4014475 0.85 SLC6A4 (0.60) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL4017870 0.85 SLC6A4 (0.53) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL4016150 0.84 SLC6A4 (0.78) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL3947165 0.83 SLC6A4 (0.68) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL3941094 0.80 SLC6A4 (0.67) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL27014965 0.80 SIGMAR1 (0.66) HRH3KCNH2
SCHEMBL3949020 0.79 SLC6A4 (1.00) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL3950804 0.78 SLC6A4 (0.63) SLC6A4HRH3SLC6A2SLC6A3HTR2A

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 claimed
WO-2008002820-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO claimed