SCHEMBL9129267

SCHEMBL9129267

NCCCC(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.48
SLC6A2 P23975 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MAOB P27338 3/20 0.42
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
IDO1 P14902 3/20 0.38
AGXT P21549 2/20 0.38
KIF11 P52732 1/20 0.37
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
Hydrochloric Acid SCHEMBL4681893 0.79 SLC6A2 (0.53) SLC6A4SLC6A3SLC6A2TAAR1MAOB
SCHEMBL8664619 0.79 HTR2A (0.54) SLC6A4SLC6A3SLC6A2TAAR1HTR2A
SCHEMBL6449520 0.79 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2TAAR1MAOB
SCHEMBL13003481 0.73 SLC6A2 (0.46) SLC6A4SLC6A3SLC6A2PPARGPPARA
SCHEMBL19231930 0.73 PPARA (0.49) SLC6A4SLC6A3SLC6A2PPARGPPARA
SCHEMBL8086703 0.72 MAOA (0.52) SLC6A4SLC6A3SLC6A2TAAR1HTR2A
SCHEMBL9329236 0.72 MAOA (0.52) SLC6A4SLC6A3SLC6A2TAAR1HTR2A
SCHEMBL11094964 0.72 MAOA (0.52) SLC6A4SLC6A3SLC6A2TAAR1HTR2A
SCHEMBL11097972 0.72 MAOA (0.52) SLC6A4SLC6A3SLC6A2TAAR1HTR2A
SCHEMBL31648185 0.72 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2TAAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5422355-A Also for treating memory impairment, dementia or cerebral insufficiency JOHN WYETH & BROTHER, LIMITED (GB) 1995-06-06 US disclosed