SCHEMBL8970870

SCHEMBL8970870

COc1cccc(C(CCN(C)N)Oc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.61
HRH3 Q9Y5N1 2/20 0.61
SLC6A9 P48067 8/20 0.55
AOC3 Q16853 1/20 0.53
SLC6A2 P23975 3/20 0.52
SLC6A3 Q01959 3/20 0.52
KCNK2 O95069 2/20 0.52
KCNH2 Q12809 2/20 0.52
CACNA1C Q13936 2/20 0.52
SLC7A5 Q01650 4/20 0.51
NPC1 O15118 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
MTOR P42345 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 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
SCHEMBL8971141 0.87 SLC6A4 (0.81) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL8971668 0.85 SLC6A4 (0.69) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL8971202 0.80 SLC6A4 (0.62) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
Maleic Acid SCHEMBL9445700 0.79 SLC6A9 (0.69) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL9195666 0.78 SLC6A4 (0.78) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL29700710 0.76 SLC6A4 (1.00) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL679320 0.76 SLC6A4 (1.00) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL8971738 0.76 SLC6A4 (0.57) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL8723140 0.76 SLC6A4 (0.75) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL6256308 0.75 SLC6A9 (0.71) SLC6A4HRH3SLC6A9CYP2D6CYP2C19

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