SCHEMBL8970829

SCHEMBL8970829

NNCCCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 9/20 0.55
BCHE P06276 1/20 0.48
NPC1 O15118 1/20 0.47
KDM1A O60341 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
IDO1 P14902 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAOA P21397 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL10106347 0.81 MAOA (0.52) FDFT1MAOAMAOB
SCHEMBL8977543 0.80 FDFT1 (0.55) FDFT1FFAR1
SCHEMBL10106345 0.80 FDFT1 (0.52) FDFT1BCHEFFAR1
Hydrochloric Acid SCHEMBL5353026 0.80 FDFT1 (0.50) FDFT1MAOA
SCHEMBL416922 0.80 MAOA (0.60) FDFT1MAOA
SCHEMBL9799721 0.79 MAOB (0.65) FDFT1ALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL25821885 0.79 BCHE (0.53) BCHECYP2D6MAOBADRA1A
SCHEMBL696112 0.78 ALDH1A1 (0.74) NPC1KDM1AALDH1A1LMNACYP1A2
SCHEMBL9799443 0.78 FDFT1 (0.51) FDFT1FFAR1
SCHEMBL7774935 0.78 CYP4F2 (0.56) FDFT1TSHRFFAR1

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