SCHEMBL8971243

SCHEMBL8971243

CCOC(=O)NN(C)CCC(Oc1ccccc1C(F)(F)F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.44
SLC6A4 P31645 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
PPARG P37231 2/20 0.41
EPHX2 P34913 1/20 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
SCHEMBL8971240 0.84 SLC6A9 (0.66) SLC6A9SLC6A4HRH3
SCHEMBL8971666 0.81 SLC6A4 (0.49) SLC6A9SLC6A4HRH3
SCHEMBL1171368 0.79 SLC6A9 (0.68) SLC6A9
SCHEMBL8971145 0.77 SLC6A4 (0.51) SLC6A9SLC6A4HRH3
Fumaric Acid SCHEMBL9445703 0.76 SLC6A9 (0.47) SLC6A9SLC6A4HRH3PPARG
SCHEMBL7307681 0.73 SLC6A4 (0.48) SLC6A9SLC6A4HRH3
SCHEMBL8761190 0.72 PPARG (0.48) SLC6A4HRH3PPARG
SCHEMBL2723434 0.71 SLC6A4 (0.66) SLC6A4HRH3
Hydrochloric Acid SCHEMBL15821156 0.70 SLC6A2 (0.67) SLC6A4HRH3
Oxalic Acid SCHEMBL7306543 0.70 KDM4E (0.61) SLC6A9SLC6A4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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