SCHEMBL9540845

SCHEMBL9540845

CNC(=O)c1ccc(CCN(C)C)c(N)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
HTR2A P28223 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
HTR2C P28335 5/20 0.35
HTR1A P08908 3/20 0.35
HTR1D P28221 2/20 0.35
TAAR1 Q96RJ0 3/20 0.33
GAA P10253 1/20 0.33
HTR2B P41595 4/20 0.33
HTR1B P28222 2/20 0.33
HTR7 P34969 2/20 0.33
HTR5A P47898 2/20 0.33
HTR6 P50406 2/20 0.33
DRD3 P35462 2/20 0.33
DRD1 P21728 1/20 0.33
HTR1E P28566 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
HDAC1 Q13547 1/20 0.32

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
SCHEMBL10425883 0.83 G6PD (0.41) HRH3HTR2AHTR2CHTR1AHTR1D
SCHEMBL10425891 0.74 TBK1 (0.39) HTR2AHTR2CHTR2BDRD3DRD2
SCHEMBL24992997 0.72 ALDH1A1 (0.37) HRH3SMN1; SMN2HTTHTR2CHTR1A
SCHEMBL10425570 0.72 G6PD (0.35) HTR2ASMN1; SMN2HTTHTR1ADRD3
SCHEMBL4895608 0.72 TAAR1 (0.38) HRH3HTR2AHTR2CHTR1AHTR1D
SCHEMBL10425559 0.70 HTR2A (0.42) HTR2AHTR2CHTR2BDRD3DRD2
SCHEMBL9688847 0.70 TAAR1 (0.41) HRH3HTR2AHTR2CHTR1AHTR1D
Dimethylamine SCHEMBL10425568 0.70 HTR1A (0.44) HTR1ADRD3DRD1DRD2
SCHEMBL10426044 0.70 TBK1 (0.36) HTR2AHTTHTR2CHTR2BDRD3
SCHEMBL7074712 0.69 G6PD (0.51) HTR2AHTR2CHTR1AHTR1DTAAR1

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-1993005088-A1 CATALYSTS WHICH STABILIZE HYDROHALOCARBON BLOWING AGENT IN POLYURETHANE FOAM FORMULATIONS ALLIED-SIGNAL INC. (US) 1993-03-18 WO disclosed