SCHEMBL4695789

SCHEMBL4695789

CCN(CC)CCCOC(COCC[Si](C)(C)C)c1nc2c([nH]1)-c1ccccc1Sc1ccc(Cl)cc1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.34
HTR1A P08908 3/20 0.34
CHRM1 P11229 3/20 0.34
HRH1 P35367 3/20 0.34
DRD3 P35462 3/20 0.34
SLC6A3 Q01959 3/20 0.34
CYP3A4 P08684 3/20 0.34
LMNA P02545 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
MLNR O43193 2/20 0.34
NR1I2 O75469 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
DRD2 P14416 2/20 0.34
DRD1 P21728 2/20 0.34
PTGS1 P23219 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
ADRA1A P35348 2/20 0.34
OPRM1 P35372 2/20 0.34

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
SCHEMBL4693885 0.92 LMNA (0.40) CHRM2HTR1ACHRM1HRH1DRD3
SCHEMBL4696606 0.89 LMNA (0.41) CHRM2HTR1ACHRM1HRH1DRD3
SCHEMBL4695791 0.84
SCHEMBL4696483 0.80 BCHE (0.31) CHRM2HTR1ACHRM1HRH1DRD3
SCHEMBL4692972 0.79 MAPK1 (0.31) MAPK1
SCHEMBL4695750 0.79 MAPK1 (0.31) MAPK1
SCHEMBL4694088 0.75 MAPK1 (0.32) MAPK1
SCHEMBL4693180 0.75 MAPK1 (0.32) MAPK1
SCHEMBL4694431 0.75 MAPK1 (0.32) CHRM2HRH1SLC6A3LMNASLC6A2
SCHEMBL4695788 0.73 DRD3 (0.33) CHRM2HTR1ACHRM1HRH1DRD3

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-1509528-B1 1,3-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2008-09-24 EP claimed