SCHEMBL9063369

SCHEMBL9063369

c1ccc(CN(c2cccs2)C2CCCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 2/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CHRM2 P08172 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 2/20 0.41
ALDH1A1 P00352 3/20 0.40
AGER Q15109 3/20 0.40
MTNR1A P48039 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD1 P21728 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.40
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
Propane SCHEMBL27579530 0.81 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL8107250 0.80 MAPK1 (0.39) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL5805787 0.80 MAPK1 (0.36) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL10891206 0.77 G6PC1 (0.50) G6PC1SLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL4476467 0.77 G6PC1 (0.54) G6PC1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL8809383 0.75 SLC6A2 (0.43) G6PC1SLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL28083577 0.73 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10MAPK1TSHR
SCHEMBL19557303 0.73 CHRM2 (0.71) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL11303340 0.72 ALDH1A1 (0.44) CHRM2CHRM3ALDH1A1HPGDHSD17B10
SCHEMBL515999 0.71 G6PC1 (0.54) G6PC1SLC6A2SLC6A4SLC6A3ALDH1A1

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-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed