SCHEMBL7353293

SCHEMBL7353293

COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1CC2CCCC1N2C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.51
DRD4 P21917 8/20 0.50
AGER Q15109 1/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 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
SCHEMBL9021444 0.88 HTR4 (0.66) HTR4DRD4DRD2
SCHEMBL7319265 0.85 HTR4 (0.70) HTR4DRD2HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL7330354 0.84 HTR4 (0.69) HTR4DRD2HTR3EHTR3BHTR3A
SCHEMBL9021909 0.84 HTR4 (0.72) HTR4DRD4
SCHEMBL9022232 0.81 DRD4 (0.55) HTR4DRD4DRD2
SCHEMBL11091966 0.80 DRD4 (0.57) DRD4AGERDRD2DRD3HTR3E
SCHEMBL9645522 0.79 DRD4 (0.53) HTR4DRD4DRD2DRD3HTR3E
SCHEMBL11196808 0.78 DRD4 (0.49) DRD4AGERDRD2DRD3
SCHEMBL11084279 0.78 DRD4 (0.49) DRD4AGERDRD2DRD3
SCHEMBL7296558 0.78 HTR4 (0.60) HTR4DRD4AGER

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-0566609-A1 AZABICYDIC AND AZATRICYDIC DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1993-10-27 EP disclosed
WO-1992012149-A1 AZABICYDIC AND AZATRICYDIC DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1992-07-23 WO disclosed