SCHEMBL9437869

SCHEMBL9437869

Cn1c(=O)oc2cc(CCCCN)ccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.53
ALDH1A1 P00352 3/20 0.47
PKM P14618 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDE10A Q9Y233 2/20 0.46
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL9437718 0.90 ALDH1A1 (0.50) HTR1AALDH1A1PKML3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL10981754 0.88 ALDH1A1 (0.49) HTR1AALDH1A1PKML3MBTL1SLC6A2
SCHEMBL8109737 0.86 HTR1A (0.53) HTR1AALDH1A1PKML3MBTL1SLC6A2
SCHEMBL10393719 0.84 HTR1A (0.51) HTR1AALDH1A1PKML3MBTL1SLC6A2
SCHEMBL9464160 0.84 KDM4E (0.51) HTR1AALDH1A1PKML3MBTL1SLC6A2
SCHEMBL13156347 0.83 PKM (0.49) HTR1AALDH1A1PKML3MBTL1SLC6A2
SCHEMBL9463980 0.82 HTR1A (0.49) HTR1AALDH1A1PKML3MBTL1SLC6A2
SCHEMBL5658301 0.81 PKM (0.50) HTR1AALDH1A1PKML3MBTL1SLC6A2
SCHEMBL8109023 0.81 ALDH1A1 (0.50) HTR1AALDH1A1PKML3MBTL1SLC6A2
SCHEMBL9464205 0.80 HTR1A (0.61) HTR1APKMSLC6A2SLC6A4SLC6A3

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
US-5296477-A Antidepressants ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
US-5268381-A Antidepressant or anxiolytic compound ADIR ET COMPAGNIE (FR) 1993-12-07 US disclosed
US-5196434-A Antidepressants, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-03-23 US disclosed
EP-0478446-A1 Heterocyclic alkylamines, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-04-01 EP disclosed