SCHEMBL7203980

SCHEMBL7203980

Cc1ccc2cc(-c3nnc(CCCC=O)n3C)ccc2n1.Cc1ccc2cc(-c3nnc(CCCCN4CCc5ccc(-c6cc(C)on6)cc5CC4)n3C)ccc2n1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.68
DRD2 P14416 19/20 0.68
KCNH2 Q12809 18/20 0.54

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
SCHEMBL5098219 0.94 DRD3 (0.76) DRD3DRD2KCNH2
Hydrochloric Acid SCHEMBL5110985 0.93 DRD3 (0.75) DRD3DRD2KCNH2
SCHEMBL5098335 0.81 DRD3 (1.00) DRD3DRD2KCNH2
SCHEMBL5102344 0.80 DRD2 (0.38) DRD3DRD2KCNH2
SCHEMBL5110767 0.79 DRD3 (0.63) DRD3DRD2KCNH2
SCHEMBL4879674 0.79 DRD3 (0.91) DRD3DRD2KCNH2
Hydrochloric Acid SCHEMBL4879731 0.79 DRD3 (0.89) DRD3DRD2KCNH2
SCHEMBL5104734 0.72 DRD3 (0.77) DRD3DRD2KCNH2
SCHEMBL4770243 0.71 DRD3 (0.80) DRD3DRD2KCNH2
SCHEMBL5110871 0.70 DRD3 (1.00) DRD3DRD2KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335915-A2 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2003-08-20 EP disclosed
WO-2002040471-A9 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2003-07-31 WO disclosed
WO-2002040471-A2 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-23 WO disclosed