SCHEMBL5110883

SCHEMBL5110883

Cc1cc(-c2ccc3c(c2)CCN(CCCSc2ncc(-c4ccc5ncccc5c4)n2C)CC3)no1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.66
KCNH2 Q12809 19/20 0.66
DRD2 P14416 17/20 0.63

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
SCHEMBL4770243 0.89 DRD3 (0.80) DRD3KCNH2DRD2
SCHEMBL5104734 0.86 DRD3 (0.77) DRD3KCNH2DRD2
SCHEMBL5105155 0.82 DRD3 (0.44) DRD3KCNH2DRD2
SCHEMBL5110856 0.79 CHRM5 (0.42) DRD3KCNH2DRD2
SCHEMBL5098236 0.79 DRD3 (0.76) DRD3KCNH2DRD2
SCHEMBL5110803 0.79 DRD3 (0.83) DRD3KCNH2DRD2
SCHEMBL5102764 0.78 DRD3 (0.84) DRD3KCNH2DRD2
SCHEMBL5110611 0.78 DRD3 (0.78) DRD3KCNH2DRD2
SCHEMBL5102401 0.78 DRD3 (0.78) DRD3KCNH2DRD2
SCHEMBL5098335 0.78 DRD3 (1.00) 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 2 patents. 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 claimed
US-7429579-B2 Tetrahydrobenzazepine derivatives useful as modulators of dopamine D3 receptors (antipsychotic agents) SMITHKLINE BEECHAM, PLC (GB) 2008-09-30 US disclosed