SCHEMBL3900890

SCHEMBL3900890

CCC(N)(CC)Cn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.65
MLNR O43193 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
ADRA2B P18089 1/20 0.65
ADRA2C P18825 1/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
ADRA1A P35348 1/20 0.65
PTGS2 P35354 1/20 0.65
HRH1 P35367 1/20 0.65
DRD3 P35462 1/20 0.65
OPRD1 P41143 1/20 0.65
OPRK1 P41145 1/20 0.65
HTR3A P46098 1/20 0.65
KCNH2 Q12809 1/20 0.65
GHSR Q92847 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
MAOA P21397 3/20 0.48
MMP9 P14780 2/20 0.48
MAOB P27338 2/20 0.48

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
SCHEMBL3910855 0.87 MAOA (0.52) PDE4DMLNRADORA3ADRA2BADRA2C
Caroverine SCHEMBL31128388 0.79 DRD3 (1.00) PDE4DMLNRADORA3ADRA2BADRA2C
Caroverine SCHEMBL25946 0.79 DRD3 (1.00) PDE4DMLNRADORA3ADRA2BADRA2C
Caroverine SCHEMBL2258789 0.78 DRD3 (0.98) PDE4DMLNRADORA3ADRA2BADRA2C
Caroverine SCHEMBL1649725 0.77 DRD3 (0.96) PDE4DMLNRADORA3ADRA2BADRA2C
Caroverine SCHEMBL28086487 0.74 DRD3 (0.89) PDE4DMLNRADORA3ADRA2BADRA2C
SCHEMBL982499 0.74 MAPK1 (0.75) PDE4DMLNRADORA3ADRA2BADRA2C
Caroverine SCHEMBL7279211 0.73 DRD3 (0.85) PDE4DMLNRADORA3ADRA2BADRA2C
SCHEMBL3881842 0.72 MLNR (0.62) PDE4DMLNRADORA3ADRA2BADRA2C
SCHEMBL979729 0.72 MAPK1 (0.68) PDE4DMLNRADORA3ADRA2BADRA2C

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-1530455-B1 A PHARMACEUTICAL FORMULATION AND ITS USE IN THE TREATMENT OF INNER EAR DISEASES PHAFAG AG (LI) 2009-03-18 EP claimed