SCHEMBL4994372

SCHEMBL4994372

c1ccc2c(c1)-c1ccccc1C2C[N]CC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.56
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GPR3 P46089 2/20 0.39
TDO2 P48775 1/20 0.37
ACHE P22303 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SLC22A2 O15244 1/20 0.35
SLC22A3 O75751 1/20 0.35

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
SCHEMBL31296479 0.82 HTR2A (0.48) HTR2ACA1CA2GPR3TDO2
SCHEMBL7576966 0.81 HTR2A (0.64) HTR2ACA1CA2GPR3TDO2
SCHEMBL13715483 0.77 HTR2A (0.58) HTR2ACA1CA2GPR3TDO2
SCHEMBL2069075 0.76 HTR2A (0.52) HTR2ACA1CA2GPR3TDO2
SCHEMBL5353138 0.76 HTR2A (0.64) HTR2ACA1CA2GPR3TDO2
SCHEMBL17022715 0.74 HTR2A (0.61) HTR2ACA1CA2GPR3TDO2
SCHEMBL7574105 0.74 HTR2A (0.61) HTR2ACA1CA2GPR3TDO2
SCHEMBL633764 0.72 HTR2A (0.58) HTR2ACA1CA2GPR3TDO2
SCHEMBL2286468 0.72 HTR2A (0.58) HTR2ACA1CA2GPR3TDO2
SCHEMBL261028 0.72 HTR2A (0.58) HTR2ACA1CA2GPR3TDO2

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
US-20080214754-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed