SCHEMBL904832

SCHEMBL904832

CCc1ccccc1Sc1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.45
HTR3A P46098 2/20 0.45
SLC6A4 P31645 8/20 0.41
SLC6A2 P23975 7/20 0.41
SLC6A3 Q01959 5/20 0.41
LMNA P02545 3/20 0.41
HAO1 Q9UJM8 1/20 0.41
AR P10275 1/20 0.40
IFNAR1 P17181 1/20 0.39
IDO1 P14902 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPY1R P25929 1/20 0.38
MAPK1 P28482 1/20 0.38
NPY2R P49146 1/20 0.38

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
SCHEMBL74169 0.89 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3LMNAIFNAR1
SCHEMBL25670209 0.83 SLC6A4 (0.54) HTR1AHTR3ASLC6A4SLC6A2SLC6A3
SCHEMBL576094 0.82 ACHE (0.53) HTR1AHTR3AHAO1ARIDO1
SCHEMBL13579946 0.82 APOBEC3G (0.57) HTR1AHTR3ASLC6A4SLC6A2SLC6A3
SCHEMBL13272189 0.81 HTR1A (0.41) HTR1AHTR3ASLC6A4SLC6A2SLC6A3
SCHEMBL21417607 0.81 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3LMNAIFNAR1
SCHEMBL15906499 0.79 HTR1A (0.50) HTR1AHTR3AHAO1ARIDO1
Phosphine SCHEMBL29157942 0.79 HTR1A (0.50) HTR1AHTR3AHAO1ARIDO1
SCHEMBL29031117 0.79 HTR1A (0.55) HTR1AHTR3ASLC6A4HAO1AR
Hydrogen Sulfide SCHEMBL11580912 0.79 HTR1A (0.50) HTR1AHTR3AHAO1ARIDO1

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
WO-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed