SCHEMBL8971244

SCHEMBL8971244

NNCCC(Oc1ccccc1Cl)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.56
SLC6A4 P31645 10/20 0.51
SLC6A2 P23975 9/20 0.51
CYP2D6 P10635 5/20 0.51
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
TSHR P16473 3/20 0.51
SLC6A3 Q01959 3/20 0.51
KCNH2 Q12809 3/20 0.51
KMT2A Q03164 2/20 0.51
CHRM1 P11229 2/20 0.51
ADRA2B P18089 2/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HRH1 P35367 2/20 0.51
OPRM1 P35372 2/20 0.51
DRD3 P35462 2/20 0.51
OPRK1 P41145 2/20 0.51
HTR2B P41595 2/20 0.51
KLF10 Q13118 2/20 0.51

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
SCHEMBL7055188 0.85 NOS2 (0.75) NOS2SLC6A4SLC6A2CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL9293022 0.84 NOS2 (0.73) NOS2SLC6A4SLC6A2CYP2D6CYP1A2
SCHEMBL7055269 0.83 SLC6A2 (0.58) NOS2SLC6A4SLC6A2CYP2D6CYP1A2
SCHEMBL7050739 0.82 SLC6A4 (0.62) NOS2SLC6A4SLC6A2CYP2D6CYP1A2
SCHEMBL8971047 0.82 SLC6A4 (0.76) NOS2SLC6A4SLC6A2CYP2D6CYP1A2
SCHEMBL8971814 0.82 SLC6A2 (0.76) NOS2SLC6A4SLC6A2CYP2D6CYP1A2
SCHEMBL9293360 0.81 SLC6A9 (0.53) NOS2SLC6A4SLC6A2CYP2D6CYP1A2
SCHEMBL8971677 0.79 SLC6A4 (0.70) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL8971176 0.78 SLC6A2 (0.48) NOS2SLC6A4SLC6A2CYP2D6CYP1A2
Succinic Acid SCHEMBL9411483 0.77 NOS2 (0.64) NOS2SLC6A4SLC6A2CYP2D6CYP1A2

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