SCHEMBL11265409

SCHEMBL11265409

O=S(=O)(c1ccccc1)c1ccc(Cc2csc(N3CCNCC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.52
AOC3 Q16853 1/20 0.47
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL3015461 0.87 TAAR1 (0.50) HTR6AOC3TAAR1
SCHEMBL11071906 0.84 AOC3 (0.49) HTR6AOC3HTR1ADRD2HTR7
SCHEMBL11063733 0.82 AOC3 (0.47) HTR6AOC3HTR1ATAAR1
SCHEMBL11265384 0.82 AOC3 (0.45) HTR6AOC3TAAR1
SCHEMBL11064971 0.82 AOC3 (0.53) HTR6AOC3LMNATAAR1
SCHEMBL11070162 0.81 SCN4A (0.52) HTR6AOC3HTR1ALMNATAAR1
SCHEMBL11064399 0.79 AOC3 (0.51) HTR6AOC3HTR1AHTR7LMNA
SCHEMBL11071226 0.79 CETP (0.51) HTR6AOC3MAPK1
SCHEMBL11064121 0.79 AOC3 (0.51) HTR6AOC3HTR1AHTR7
Hydrochloric Acid SCHEMBL2823992 0.79 HTR6 (0.54) HTR6HTR1ADRD2HTR2AHTR7

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-4312869-A Monosubstituted piperazines SCIENCE UNION ET CIE (FR) 1982-01-26 US claimed
US-4312869-A Monosubstituted piperazines SCIENCE UNION ET CIE (FR) 1982-01-26 US disclosed