SCHEMBL27458698

SCHEMBL27458698

COC(c1ccccc1)c1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
HTT P42858 2/20 0.37
SCN1A P35498 4/20 0.36
SCN2A Q99250 4/20 0.36
SCN3A Q9NY46 4/20 0.36
LMNA P02545 2/20 0.36
CHRM2 P08172 2/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL15705100 0.80 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3SMN1; SMN2NPSR1
SCHEMBL461448 0.79 IDO1 (0.47) SLC6A2SLC6A4SLC6A3SMN1; SMN2NPSR1
SCHEMBL27508162 0.79 HTT (0.45) SLC6A2SLC6A4SLC6A3SMN1; SMN2ALDH1A1
SCHEMBL23296602 0.77 IDO1 (0.46) SLC6A2SLC6A4SLC6A3SMN1; SMN2NPSR1
SCHEMBL11433729 0.76 HTT (0.50) SLC6A2SLC6A4SLC6A3SMN1; SMN2HTT
SCHEMBL27918944 0.74 IDO1 (0.42) SLC6A2SLC6A4SLC6A3SMN1; SMN2NPSR1
SCHEMBL15960120 0.72 IDO1 (0.39) SLC6A2SLC6A4SLC6A3SMN1; SMN2NPSR1
SCHEMBL791869 0.72 CFTR (0.57) SLC6A2SLC6A4SLC6A3SMN1; SMN2KCNH2
SCHEMBL1571378 0.72 ATM (0.40) SLC6A2SLC6A4SLC6A3SMN1; SMN2NPSR1
SCHEMBL557936 0.72 ALOX5 (0.56) SLC6A3LMNATSHR

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
CN-1122702-A Medicine for curing trachitis, asthma and pneumonectasis XIAO HANLUN (CN) 1996-05-22 CN disclosed