SCHEMBL8971202

SCHEMBL8971202

CN(N)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.62
HRH3 Q9Y5N1 3/20 0.62
SLC6A9 P48067 10/20 0.55
SLC6A2 P23975 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KCNK2 O95069 1/20 0.52
KCNH2 Q12809 1/20 0.52
CACNA1C Q13936 1/20 0.52
SLC7A5 Q01650 3/20 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
SCHEMBL8971668 0.94 SLC6A4 (0.69) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL8971141 0.87 SLC6A4 (0.81) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL6006305 0.80 SLC6A4 (0.55) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL8970870 0.80 SLC6A4 (0.61) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
Maleic Acid SCHEMBL9445700 0.79 SLC6A9 (0.69) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL17549671 0.78 SLC6A4 (0.78) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL9195666 0.78 SLC6A4 (0.78) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL9197766 0.77 SLC6A4 (0.71) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL8723140 0.77 SLC6A4 (0.75) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL8971738 0.77 SLC6A4 (0.57) SLC6A4HRH3SLC6A9SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545425-B1 2-(3-Phenylpropyl)hydrazines, intermediates in and a process for the preparation thereof, and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-03-20 EP disclosed
US-5268468-A Or optical isomers thereof HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-12-07 US disclosed
US-5229417-A Obsessive compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US disclosed
EP-0545425-A1 2-(3-Phenylpropyl)hydrazines, intermediates in and a process for the preparation thereof, and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-06-09 EP disclosed