SCHEMBL9283305

SCHEMBL9283305

CCNC(=O)c1ccccc1N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.50
ADRB1 P08588 3/20 0.47
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
HTR1A P08908 1/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
CHIA Q9BZP6 1/20 0.46
BACE1 P56817 1/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR3A P46098 1/20 0.44
HTR6 P50406 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44

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
SCHEMBL5666316 0.89 TSHR (0.48) ADRB1DRD2DRD3HTR1ADRD4
SCHEMBL15545669 0.84 HTR6 (0.44) ADRB1HTR1AHTR2ABACE1HTR6
SCHEMBL5563018 0.84 MAPK1 (0.51) ADRB1DRD2DRD3DRD4HTR3E
SCHEMBL1742847 0.84 ADRB1 (0.51) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL5563304 0.83 ALDH1A1 (0.46) ADRB1DRD2DRD4HTR2CBACE1
SCHEMBL5564533 0.82 BACE1 (0.44) ADRB1HTR1AHTR2ABACE1HTR3E
SCHEMBL8623037 0.82 BACE1 (0.51) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL27818370 0.81 ADRB1 (0.51) ADRB1DRD2DRD3HTR1ADRD4
SCHEMBL16230836 0.80 PRMT5 (0.44) ADRB1HTR1AHTR2ABACE1HTR6
SCHEMBL8092711 0.79 ITGB3 (0.43) HTR1AHTR2ABACE1HTR6HTR7

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
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