SCHEMBL5753064

SCHEMBL5753064

CCCCOC(=O)N1CCc2ccc(C#N)c(SC(C)c3ccc(F)cc3)c2CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.39
HRH1 P35367 5/20 0.39
CACNA1F O60840 2/20 0.39
HTR1A P08908 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD5 P21918 2/20 0.39
ADRA1D P25100 2/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
OPRM1 P35372 2/20 0.39
DRD3 P35462 2/20 0.39
HTR6 P50406 2/20 0.39
CACNA1D Q01668 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CACNA1S Q13698 2/20 0.39
CACNA1C Q13936 2/20 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
SCHEMBL507589 0.84 GPR119 (0.42) GPR119GRM5
SCHEMBL5732861 0.75 HRH2 (0.37) HRH2HRH1PTGDR2LMNAPOLB
Succinic Acid SCHEMBL508012 0.72 HTR2C (0.39) HTR2ASLC6A3PTGDR2HTR2CSLC1A2
SCHEMBL30013156 0.72 HRH2 (0.43) HRH2HRH1CACNA1FHTR1AADORA3
SCHEMBL506920 0.71 ESR2 (0.42) GPR119SMN1; SMN2GRM5CYP3A4
SCHEMBL506554 0.71 HTR2C (0.46) DRD2HTR2AHTR7DRD3HTR2C
SCHEMBL30013061 0.70 HRH2 (0.46) HRH2HRH1CACNA1FHTR1AADORA3
SCHEMBL507666 0.69 GPR119 (0.41) GPR119SMN1; SMN2
SCHEMBL4788829 0.67 ALDH1A1 (0.44) HRH2HRH1SIGMAR1PTGDR2LMNA
SCHEMBL30509937 0.67 PGR (0.43) HRH2HRH1PTGDR2GPR119LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed