SCHEMBL9738670

SCHEMBL9738670

Cc1ccc(N2N=C3c4ccsc4CCCC3CC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.41
BCHE P06276 2/20 0.41
GAA P10253 1/20 0.35
HTR1A P08908 4/20 0.35
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
MAPT P10636 4/20 0.34
SRC P12931 1/20 0.34
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8840999 0.93 ACHE (0.47) ACHEBCHEGAAHTR1AHTR7
SCHEMBL8840949 0.90 ACHE (0.43) ACHEBCHEHTR1AHTR7HTR6
SCHEMBL9737830 0.89 APP (0.40) ACHEBCHEGAAMAPTALDH1A1
SCHEMBL9738208 0.84 GAA (0.34) GAAMAPTSRCALDH1A1POLB
SCHEMBL8840973 0.82 ACHE (0.48) ACHEBCHEHTR1AHTR7HTR6
SCHEMBL9738376 0.77 ACHE (0.42) ACHEBCHEHTR1AHTR7HTR6
SCHEMBL9738054 0.77 MAPT (0.41) GAAMAPTALDH1A1HTTMEN1
SCHEMBL9739096 0.76 PDE4A (0.40) ACHEBCHEGAAHTR1AHTR7
SCHEMBL9738168 0.76 APP (0.41) GAAMAPTALDH1A1POLBMEN1
SCHEMBL10365809 0.75 ACHE (0.38) ACHEGAAMAPTALDH1A1HTT

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
US-5153194-A Anxiolytic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-10-06 US disclosed