SCHEMBL9006355

SCHEMBL9006355

Clc1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 1.00
DRD2 P14416 11/20 1.00
HRH4 Q9H3N8 1/20 0.65
ACHE P22303 5/20 0.64
HTR1A P08908 2/20 0.62
HTR2A P28223 2/20 0.62
TMEM97 Q5BJF2 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
HRH2 P25021 1/20 0.60
HRH1 P35367 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
DRD1 P21728 1/20 0.57
DRD5 P21918 1/20 0.57

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
SCHEMBL9006356 0.92 DRD3 (1.00) DRD3DRD2HRH4ACHEHTR1A
SCHEMBL9006339 0.90 DRD3 (1.00) DRD3DRD2HRH4ACHE
SCHEMBL9006348 0.90 DRD3 (0.85) DRD3DRD2HRH4ACHE
SCHEMBL9006359 0.90 DRD3 (0.85) DRD3DRD2HRH4ACHEHTR1A
SCHEMBL9006384 0.90 DRD3 (1.00) DRD3DRD2HRH4ACHEHRH2
SCHEMBL9006372 0.89 DRD3 (0.94) DRD3DRD2HRH4ACHEHTR1A
SCHEMBL9006337 0.85 DRD3 (1.00) DRD3DRD2HRH4ACHEHTR1A
SCHEMBL601512 0.84 DRD3 (1.00) DRD3DRD2HRH4ACHE
SCHEMBL9260985 0.84 ACHE (0.89) DRD3DRD2ACHE
SCHEMBL9006297 0.84 DRD3 (0.89) DRD3DRD2HRH4ACHE

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
WO-1995030659-A1 BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINERGIC AGENTS, ESP. SELECTIVE FOR THE DOPAMINE D3 RECEPTOR WARNER-LAMBERT COMPANY (US) 1995-11-16 WO claimed
US-5486517-A Benzimidazoles and imidazopyridines as central nervous system agents WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1995030659-A1 BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINERGIC AGENTS, ESP. SELECTIVE FOR THE DOPAMINE D3 RECEPTOR WARNER-LAMBERT COMPANY (US) 1995-11-16 WO disclosed