SCHEMBL5111440

SCHEMBL5111440

C=CCn1c(SCCCN2CCc3ccc(-c4ncc(C)o4)cc3CC2)nnc1-c1ccc2ncccc2c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 18/20 0.59
KCNH2 Q12809 17/20 0.59
DRD2 P14416 14/20 0.59
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.52
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
SCHEMBL5101657 0.92 DRD3 (0.62) DRD3KCNH2DRD2HRH1
SCHEMBL4765674 0.89 DRD3 (0.73) DRD3KCNH2DRD2
SCHEMBL5111233 0.80 DRD3 (0.77) DRD3KCNH2DRD2HRH1
SCHEMBL4770243 0.76 DRD3 (0.80) DRD3KCNH2DRD2
SCHEMBL4769737 0.75 DRD3 (0.61) DRD3KCNH2DRD2HRH1
SCHEMBL5098678 0.75 DRD3 (0.65) DRD3KCNH2DRD2
SCHEMBL4773242 0.74 DRD3 (0.75) DRD3KCNH2DRD2
SCHEMBL5104734 0.74 DRD3 (0.77) DRD3KCNH2DRD2
SCHEMBL5105134 0.73 DRD3 (1.00) DRD3KCNH2DRD2HRH1
SCHEMBL5102569 0.73 DRD3 (0.62) 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