SCHEMBL29535510

SCHEMBL29535510

CSc1ccc(Cc2cn[nH]c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 3/20 0.44
MAOA P21397 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
SCHEMBL147944 0.79 METAP2 (0.42)
SCHEMBL14131007 0.78 NOS2 (0.44)
SCHEMBL13026656 0.78 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL9275163 0.77 ESR1 (0.58)
SCHEMBL27497187 0.76 LTA4H (0.55)
SCHEMBL22968991 0.76 NTRK1 (0.42)
SCHEMBL31135323 0.76 CYP19A1 (0.49)
SCHEMBL2872833 0.75 CALM1 (0.52)
Hydrochloric Acid SCHEMBL23068534 0.74 NTRK1 (0.41)
Hydrochloric Acid SCHEMBL23068338 0.73 CALM1 (0.50)

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
EP-3976053-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASE Avolynt (US) 2022-04-06 EP disclosed