SCHEMBL9020980

SCHEMBL9020980

CCCCCCSCc1ccc(CC(C)N)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.58
MAOB P27338 2/20 0.58
SLC6A4 P31645 3/20 0.51
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 2/20 0.46
TAAR1 Q96RJ0 2/20 0.44

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
SCHEMBL29388293 0.84 ESR1 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL6075249 0.84 ESR1 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL1312166 0.83 HTR2A (0.44) MAOAMAOBSLC6A4SLC6A2SLC6A3
SCHEMBL8999593 0.82 TYR (0.41) SLC6A4SLC6A2SLC6A3
SCHEMBL7164995 0.80 MAPT (0.44) SLC6A4SLC6A2SLC6A3
SCHEMBL1312718 0.80 MAPT (0.44) SLC6A4SLC6A2SLC6A3
SCHEMBL10178491 0.77 HTR2A (0.39) MAOAMAOB
SCHEMBL8019398 0.76 LMNA (0.42) MAOAMAOB
SCHEMBL9020975 0.76 LMNA (0.37)
SCHEMBL20239385 0.76 ESR1 (0.58) SLC6A4SLC6A2SLC6A3

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-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed