SCHEMBL9833912

SCHEMBL9833912

CCCCN1C(=S)Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.49
DRD3 P35462 6/20 0.49
CHRM2 P08172 5/20 0.49
CHRM1 P11229 5/20 0.49
CHRM3 P20309 5/20 0.49
CHRM4 P08173 4/20 0.49
CHRM5 P08912 4/20 0.49
DRD4 P21917 4/20 0.49
CYP2D6 P10635 4/20 0.44
HTR7 P34969 4/20 0.44
HTR2A P28223 3/20 0.44
SLC6A2 P23975 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
CYP1A2 P05177 3/20 0.44
ADRA1A P35348 3/20 0.44
SLC6A4 P31645 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTR1A P08908 3/20 0.44
SLC22A2 O15244 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
SCHEMBL9833997 0.90 ADRA2B (0.51) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL19656193 0.86 CHRM2 (0.54) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL8998982 0.82 ADRA2B (0.39) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL18092717 0.81 CHRM2 (0.50) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL7708386 0.81 HTR7 (0.51) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL7476444 0.80 DRD2 (0.63) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL344854 0.79 ALDH1A1 (0.54) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL590887 0.79 ALDH1A1 (0.54) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL27474717 0.79 ALDH1A1 (0.54) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL29643502 0.79 ALDH1A1 (0.54) DRD2DRD3CHRM2CHRM1CHRM3

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-0208510-B1 1-SUBSTITUTED OXINDOLE-3-CARBOXAMINES AS ANTIINFLAMMATORY AND ANALGESIC AGENTS PFIZER INC. (US) 1991-09-11 EP disclosed