SCHEMBL6292800

SCHEMBL6292800

Cc1ccn2cc(-c3ccc(OCCCN4CCCCCC4)cc3C)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 1.00
DRD2 P14416 3/20 0.54
DRD3 P35462 3/20 0.54
TLR9 Q9NR96 2/20 0.54
TLR7 Q9NYK1 2/20 0.54
TLR8 Q9NR97 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
SCHEMBL5261354 1.00 HRH3 (1.00) HRH3DRD2DRD3TLR9TLR7
SCHEMBL5427098 0.91 HRH3 (0.83) HRH3DRD2DRD3TLR9TLR7
SCHEMBL6295832 0.90 HRH3 (1.00) HRH3DRD2DRD3TLR9TLR7
SCHEMBL5260036 0.90 HRH3 (1.00) HRH3DRD2DRD3TLR9TLR7
SCHEMBL4653816 0.87 HRH3 (1.00) HRH3DRD2DRD3
SCHEMBL6291771 0.87 HRH3 (1.00) HRH3DRD2DRD3
SCHEMBL5257756 0.85 HRH3 (1.00) HRH3DRD2DRD3
SCHEMBL5261465 0.84 HRH3 (0.72) HRH3DRD2DRD3
SCHEMBL5260918 0.84 HRH3 (0.80) HRH3DRD2DRD3
SCHEMBL5413761 0.81 HRH3 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199117-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-04-03 US disclosed
US-7199117-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-04-03 US disclosed
US-6908929-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-06-21 US disclosed