SCHEMBL5111112

SCHEMBL5111112

Cn1c(SCCCN2CCc3ccc(S(=O)(=O)c4ccco4)cc3CC2)nnc1-c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.49
KCNH2 Q12809 19/20 0.49
DRD2 P14416 11/20 0.49
HRH1 P35367 1/20 0.43

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
SCHEMBL5105096 0.91 DRD3 (0.54) DRD3KCNH2DRD2HRH1
SCHEMBL5098480 0.88 DRD3 (0.51) DRD3KCNH2DRD2HRH1
SCHEMBL5098397 0.86 DRD3 (0.51) DRD3KCNH2DRD2
SCHEMBL5102170 0.83 DRD3 (0.49) DRD3KCNH2DRD2
SCHEMBL5097897 0.81 DRD3 (0.64) DRD3KCNH2DRD2HRH1
SCHEMBL5098506 0.80 DRD3 (0.52) DRD3KCNH2DRD2HRH1
SCHEMBL5112313 0.79 DRD3 (0.60) DRD3KCNH2DRD2HRH1
SCHEMBL4770291 0.76 DRD3 (0.57) DRD3KCNH2DRD2HRH1
SCHEMBL5110586 0.76 DRD3 (0.61) DRD3KCNH2DRD2
SCHEMBL5111801 0.76 DRD3 (0.56) 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