SCHEMBL8971018

SCHEMBL8971018

CN(C)CCCc1cccc(Oc2ccccc2C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.55
LPAR1 Q92633 1/20 0.44
LPAR5 Q9H1C0 1/20 0.44
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
ACHE P22303 1/20 0.40
CACNA1B Q00975 2/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTR7 P34969 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 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
SCHEMBL5033743 0.82 FFAR1 (0.48) FDFT1NOS1NOS2ACHESIGMAR1
SCHEMBL15562704 0.80 HTR1B (0.56) FDFT1NOS1NOS2ACHESIGMAR1
SCHEMBL8970986 0.80 FDFT1 (0.54) FDFT1NOS1NOS2CACNA1BKDM4E
SCHEMBL5543329 0.77 FDFT1 (0.51) FDFT1LPAR1LPAR5SUCNR1
SCHEMBL919975 0.77 FDFT1 (0.51) FDFT1LPAR1LPAR5SUCNR1
SCHEMBL555038 0.73 AOC3 (0.66) ACHESIGMAR1
SCHEMBL8306595 0.72 ALDH1A1 (0.58) FDFT1ACHEALDH1A1
SCHEMBL22837812 0.72 HTR1B (0.55) HTR7KDM4EALDH1A1
SCHEMBL6230311 0.72 L3MBTL1 (0.56) FDFT1KDM4ESMN1; SMN2
SCHEMBL10682043 0.72 TAAR1 (0.57) SIGMAR1HTR7HTR1A

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