SCHEMBL5111253

SCHEMBL5111253

CCS(=O)(=O)c1ccc2c(c1)CCN(CCCSc1nc(-c3ccc(F)cc3)cn1C)CC2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.42
KCNH2 Q12809 18/20 0.42
DRD2 P14416 15/20 0.42
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL5111801 0.83 DRD3 (0.56) DRD3KCNH2DRD2HTR1A
SCHEMBL5112149 0.82 ALDH1A1 (0.45) DRD3KCNH2DRD2
SCHEMBL4768949 0.77 DRD3 (0.42) DRD3KCNH2DRD2
SCHEMBL4768955 0.77 DRD3 (0.42) DRD3KCNH2DRD2
SCHEMBL5098397 0.77 DRD3 (0.51) DRD3KCNH2DRD2
SCHEMBL4770291 0.75 DRD3 (0.57) DRD3KCNH2DRD2HTR1A
SCHEMBL5104991 0.75 DRD3 (0.61) DRD3KCNH2DRD2
SCHEMBL5101623 0.73 DRD3 (0.68) DRD3KCNH2DRD2
SCHEMBL5104899 0.73 DRD3 (0.49) DRD3KCNH2DRD2
SCHEMBL4764981 0.73 DRD3 (0.55) DRD3KCNH2DRD2HTR1A

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