SCHEMBL994382

SCHEMBL994382

CCCCC(Oc1ccc(F)cc1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
HRH3 Q9Y5N1 4/20 0.40
SLC6A4 P31645 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
LTA4H P09960 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL12130583 0.87 SLC6A4 (0.50) SLC6A2SLC6A3HRH3SLC6A4LMNA
SCHEMBL12130507 0.87 HRH3 (0.52) SLC6A2SLC6A3HRH3SLC6A4MEN1
SCHEMBL992649 0.85 HRH3 (0.40) SLC6A2SLC6A3HRH3SLC6A4TSHR
SCHEMBL12130610 0.85 SLC6A3 (0.45) SLC6A2SLC6A3HRH3SLC6A4MEN1
SCHEMBL12130553 0.85 SLC6A2 (0.42) SLC6A2SLC6A3HRH3SLC6A4MEN1
SCHEMBL994992 0.85 SLC6A4 (0.48) SLC6A2SLC6A3HRH3SLC6A4MEN1
SCHEMBL12130554 0.84 HRH3 (0.43) SLC6A2SLC6A3HRH3SLC6A4LTA4H
SCHEMBL12130449 0.84 HRH3 (0.43) SLC6A2SLC6A3HRH3SLC6A4LTA4H
SCHEMBL12130611 0.83 LTA4H (0.47) SLC6A2SLC6A3HRH3SLC6A4KMT2A
SCHEMBL12130604 0.83 HRH3 (0.46) SLC6A2SLC6A3HRH3LMNALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910605-B2 Non-imidazole alkylamines as histamine H3- receptor ligands and their therapeutic applications SOCIETE CIVILE BIOPROJET (FR) 2011-03-22 US disclosed
WO-2011008666-A2 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2011-01-20 WO disclosed