SCHEMBL8619931

SCHEMBL8619931

Cn1cc(NCCCCNCc2ccc(F)cc2)c(=N)n(C)c1=S

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.47
ACHE P22303 3/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
LMNA P02545 3/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ABCB1 P08183 3/20 0.37
MPO P05164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL8328869 0.76 CHRM2 (0.44) CHRM2ACHEHDAC3HDAC1HDAC2
SCHEMBL8325662 0.76 CHRM2 (0.46) CHRM2ACHEHDAC3HDAC1HDAC2
SCHEMBL8329010 0.74 CHRM2 (0.41) CHRM2ACHEHDAC3HDAC1HDAC2
SCHEMBL8324185 0.68 CHRM2 (0.39) CHRM2ACHESCN8ALMNATP53
SCHEMBL10045185 0.67 CHRM2 (0.92) CHRM2ACHEHDAC3HDAC1HDAC2
SCHEMBL8330575 0.65 MEN1 (0.35) CHRM2ACHESCN8ALMNATP53
SCHEMBL10045186 0.65 CHRM2 (0.88) CHRM2ACHEHDAC3HDAC1HDAC2
SCHEMBL12332531 0.64 CHRM2 (0.66) CHRM2ACHEHDAC3HDAC1HDAC2
SCHEMBL8322051 0.64 ALDH1A1 (0.42) TP53L3MBTL1ALDH1A1KMT2A
SCHEMBL14619486 0.63 CHRM2 (0.76) CHRM2ACHEHDAC3HDAC1HDAC2

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-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed