SCHEMBL7270927

SCHEMBL7270927

CN1CCOc2c(C(=O)OC3CN4CCC3CC4)cc(Cl)cc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.52
TSHR P16473 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HTR3A P46098 2/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
HRH1 P35367 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.48
DRD2 P14416 2/20 0.45

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
SCHEMBL7276892 0.80 GLA (0.50) GLATSHRRXFP1HTR3AHTR2A
SCHEMBL7269322 0.79 HTR3A (0.72) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7276068 0.79 HTR3A (0.72) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7269326 0.79 HTR3A (0.72) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7279005 0.79 GLA (0.49) GLATSHRRXFP1HTR3AHTR2A
Hydrochloric Acid SCHEMBL7269107 0.78 HTR3A (0.71) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7276013 0.78 DRD2 (0.51) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7360473 0.75 GLA (0.49) GLATSHRRXFP1HTR3AKCNH2
SCHEMBL7359845 0.75 GLA (0.49) GLATSHRRXFP1HTR3AKCNH2
SCHEMBL7270768 0.74 DRD2 (0.51) HTR3AHTR2ASLC6A4HRH1PDE4D

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-0407137-B1 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-05-01 EP disclosed
EP-0407137-A2 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-01-09 EP disclosed