SCHEMBL8971240

SCHEMBL8971240

CCOC(=O)NN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.66
SLC6A4 P31645 5/20 0.64
HRH3 Q9Y5N1 2/20 0.64
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 4/20 0.55
SLC6A2 P23975 4/20 0.55
SLC6A3 Q01959 4/20 0.55
NPC1 O15118 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
MTOR P42345 2/20 0.55
RAB9A P51151 2/20 0.55
CYP3A4 P08684 2/20 0.55
HTR2C P28335 2/20 0.55
KCNK2 O95069 2/20 0.55
KCNH2 Q12809 2/20 0.55
CACNA1C Q13936 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL7939788 0.84 SLC6A9 (0.69) SLC6A9SLC6A4HRH3MEN1KMT2A
SCHEMBL8971243 0.84 SLC6A9 (0.44) SLC6A9SLC6A4HRH3
SCHEMBL7395775 0.83 SLC6A4 (0.65) SLC6A9SLC6A4HRH3MEN1KMT2A
SCHEMBL6013413 0.82 SLC6A9 (0.80) SLC6A9SLC6A4HRH3CYP2D6CYP2C19
SCHEMBL8971664 0.81 SLC6A4 (0.77) SLC6A9SLC6A4HRH3MEN1KMT2A
SCHEMBL13780465 0.80 SLC6A9 (0.77) SLC6A9SLC6A4HRH3MEN1KMT2A
Oxalic Acid SCHEMBL7317614 0.80 SLC6A4 (0.88) SLC6A9SLC6A4HRH3MEN1KMT2A
SCHEMBL7943023 0.80 SLC6A9 (0.72) SLC6A9SLC6A4HRH3MEN1KMT2A
SCHEMBL1171367 0.79 SLC6A9 (1.00) SLC6A9SLC6A4HRH3CYP2D6CYP2C19
SCHEMBL15127607 0.79 SLC6A9 (1.00) SLC6A9SLC6A4HRH3CYP2D6CYP2C19

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 6 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 claimed
US-5229417-A Obsessive compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US claimed
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