SCHEMBL5098542

SCHEMBL5098542

Cn1c(-c2ccc(Cl)cc2)cnc1SCCCN1CCc2ccc(OS(C)(=O)=O)cc2CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 16/20 0.47
KCNH2 Q12809 15/20 0.47
DRD2 P14416 13/20 0.47
HRH3 Q9Y5N1 3/20 0.44
HRH1 P35367 1/20 0.40
MCHR1 Q99705 1/20 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
SCHEMBL5104402 0.91 ALDH1A1 (0.44) DRD3KCNH2DRD2HRH3HRH1
SCHEMBL4769845 0.85 DRD3 (0.65) DRD3KCNH2DRD2
SCHEMBL4770301 0.79 DRD3 (0.55) DRD3KCNH2DRD2
SCHEMBL5110978 0.78 HRH3 (0.44) DRD3KCNH2DRD2HRH3
SCHEMBL4773455 0.77 DRD3 (0.67) DRD3KCNH2DRD2
SCHEMBL4763300 0.77 DRD3 (0.46) DRD3KCNH2DRD2HRH3
SCHEMBL5097933 0.77 NPC1 (0.49) DRD3KCNH2DRD2HRH3
SCHEMBL5112149 0.77 ALDH1A1 (0.45) DRD3KCNH2DRD2HRH1
SCHEMBL4772428 0.77 DRD3 (0.59) DRD3KCNH2DRD2HRH1
SCHEMBL4767832 0.76 DRD3 (0.68) DRD3KCNH2DRD2HRH1

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-7429579-B2 Tetrahydrobenzazepine derivatives useful as modulators of dopamine D3 receptors (antipsychotic agents) SMITHKLINE BEECHAM, PLC (GB) 2008-09-30 US disclosed