SCHEMBL9833997

SCHEMBL9833997

CCCN1C(=S)Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 4/20 0.51
ADRA2C P18825 4/20 0.51
ADRA2A P08913 2/20 0.51
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.40
ATM Q13315 1/20 0.40
HTR7 P34969 4/20 0.39
HTR2A P28223 3/20 0.39
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
DRD2 P14416 3/20 0.39
CHRM3 P20309 3/20 0.39
DRD3 P35462 3/20 0.39
SLC6A2 P23975 3/20 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
SCHEMBL9833912 0.90 DRD2 (0.49) ADRA2BADRA2CADRA2ALMNAALDH1A1
SCHEMBL8998982 0.85 ADRA2B (0.39) ADRA2BADRA2CADRA2ALMNAALDH1A1
SCHEMBL14281158 0.85 ADRA2B (0.57) ADRA2BADRA2CADRA2ALMNAALDH1A1
SCHEMBL8240109 0.79 HTR7 (0.57) ADRA2BADRA2CADRA2AHTR7CHRM2
SCHEMBL22018905 0.77 HTR2A (0.61) ADRA2BADRA2CADRA2ALMNAALDH1A1
SCHEMBL8999008 0.75 MAOA (0.40) ADRA2BADRA2CADRA2ALMNAALDH1A1
SCHEMBL19656193 0.74 CHRM2 (0.54) ADRA2BADRA2CADRA2ALMNAALDH1A1
SCHEMBL7708386 0.73 HTR7 (0.51) ADRA2BADRA2CADRA2ALMNAALDH1A1
SCHEMBL9095440 0.72 HDAC3 (0.44) ADRA2BADRA2CADRA2ALMNAALDH1A1
SCHEMBL6249842 0.72 ADRA2C (0.52) ADRA2BADRA2CADRA2ALMNAALDH1A1

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