SCHEMBL6421382

SCHEMBL6421382

c1ccc(-c2cc(OCCCN3CCCCC3)ccc2-c2cn3ccccc3n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.73
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
HTR1A P08908 1/20 0.52
HTR7 P34969 1/20 0.52

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
SCHEMBL6421371 0.89 HRH3 (0.84) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL5261357 0.84 HRH3 (1.00) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL6421374 0.83 HRH3 (0.98) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL6421366 0.79 HRH3 (0.77) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL5416238 0.75 HRH3 (1.00) HRH3DRD2DRD3
SCHEMBL6292800 0.75 HRH3 (1.00) HRH3DRD2DRD3
SCHEMBL5261354 0.75 HRH3 (1.00) HRH3DRD2DRD3
SCHEMBL6633641 0.75 HRH3 (1.00) HRH3
SCHEMBL10674653 0.74 HRH3 (0.67) HRH3
SCHEMBL5260036 0.74 HRH3 (1.00) HRH3DRD2DRD3

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
US-6908929-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-06-21 US claimed