SCHEMBL12486244

SCHEMBL12486244

Cc1nc(CC2NCCc3ccsc32)cs1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PDE10A Q9Y233 1/20 0.32
SLC6A3 Q01959 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL12486444 0.73 GAA (0.37) TAAR1GAAMEN1KMT2AHTR1A
Hydrochloric Acid SCHEMBL12485366 0.72 GAA (0.36) TAAR1GAAMEN1KMT2AHTR1A
SCHEMBL4709300 0.72 SLC22A1 (0.59) HTR2A
SCHEMBL12485294 0.72 SLC22A1 (0.42) GAAMEN1KMT2ASLC6A3DRD2
SCHEMBL12486252 0.72 GAA (0.38) TAAR1GAAMEN1KMT2AHTR1A
SCHEMBL12485441 0.71 SLC22A1 (0.43) TAAR1GAAMEN1KMT2ADRD2
SCHEMBL9531248 0.71 TAAR1 (0.52) TAAR1HTR1ADRD2HTR7
SCHEMBL3312684 0.71 KMT2A (0.37) TAAR1KMT2AHTR1ADRD2HTR7
SCHEMBL12486539 0.70 BCHE (0.45) MEN1KMT2A
SCHEMBL12761042 0.70 PARP1 (0.37) TAAR1HTR1ADRD2HTR7

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-2012114252-A1 NOVEL INDOLE AND PYRROLOPYRIDINE AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-08-30 WO disclosed