SCHEMBL4028648

SCHEMBL4028648

CC(C)N1CCN(c2ccc(Oc3ccc(Cl)c(Cl)c3)c(CC(N)I)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.48
HRH3 Q9Y5N1 7/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 2/20 0.48
SOS1 Q07889 1/20 0.44
HTR2A P28223 11/20 0.40
KCNH2 Q12809 9/20 0.39

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
SCHEMBL4036120 0.84 SLC6A4 (0.48) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL3947165 0.83 SLC6A4 (0.68) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL3941657 0.82 HRH3 (0.48) SLC6A4HRH3SLC6A2SLC6A3SOS1
SCHEMBL3941094 0.80 SLC6A4 (0.67) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL4014518 0.79 SLC6A4 (0.47) SLC6A4HRH3SLC6A2SLC6A3SOS1
SCHEMBL11955710 0.73 MAPT (0.59) HRH3
SCHEMBL3944352 0.70 SLC6A4 (0.49) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL3950804 0.70 SLC6A4 (0.63) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL4012270 0.69 SLC6A4 (0.61) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL4164302 0.68 SLC6A4 (0.41) SLC6A4HRH3SLC6A2SLC6A3SOS1

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