SCHEMBL5111669

SCHEMBL5111669

Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4cnc(C)c(C)c4)n2C)CC3)no1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.79
KCNH2 Q12809 18/20 0.79
DRD2 P14416 17/20 0.79

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
SCHEMBL4766341 0.86 DRD3 (0.87) DRD3KCNH2DRD2
SCHEMBL5110871 0.86 DRD3 (1.00) DRD3KCNH2DRD2
SCHEMBL5110796 0.86 DRD3 (0.77) DRD3KCNH2DRD2
SCHEMBL5110803 0.85 DRD3 (0.83) DRD3KCNH2DRD2
SCHEMBL5102764 0.84 DRD3 (0.84) DRD3KCNH2DRD2
SCHEMBL5111123 0.84 DRD3 (1.00) DRD3KCNH2DRD2
SCHEMBL5102401 0.84 DRD3 (0.78) DRD3KCNH2DRD2
SCHEMBL5110611 0.84 DRD3 (0.78) DRD3KCNH2DRD2
SCHEMBL5101707 0.84 DRD3 (0.79) DRD3KCNH2DRD2
SCHEMBL5111942 0.84 DRD3 (0.79) DRD3KCNH2DRD2

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