SCHEMBL25699735

SCHEMBL25699735

CSC(C)Cc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.57
SLC6A3 Q01959 3/20 0.57
SLC6A4 P31645 6/20 0.50
MAOA P21397 1/20 0.39
IDO1 P14902 1/20 0.39
ACACB O00763 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
CHRNA4 P43681 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL20715548 0.79 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4MAOAIDO1
SCHEMBL19140754 0.78 SLC6A4 (0.44) SLC6A2SLC6A3SLC6A4MAOATAAR1
SCHEMBL25583216 0.78 TRPA1 (0.52) SLC6A2SLC6A3SLC6A4MAOAIDO1
SCHEMBL21504837 0.78 MAPK1 (0.41) SLC6A2SLC6A3MEN1CYP1A2RAB9A
SCHEMBL13242159 0.77 SIGMAR1 (0.54) SLC6A2SLC6A3SLC6A4MAOAMEN1
SCHEMBL12327240 0.77 SIGMAR1 (0.54) SLC6A2SLC6A3SLC6A4MAOAMEN1
SCHEMBL764989 0.77 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4IDO1CYP2C9
SCHEMBL2326795 0.75 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4IDO1ACACB
SCHEMBL23511482 0.74 CYP3A4 (0.43) SLC6A2SLC6A3SLC6A4MAOAMEN1
SCHEMBL11133775 0.74 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4IDO1ACACB

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-2023086801-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed