SCHEMBL6421366

SCHEMBL6421366

c1ccc(-c2ccc(-c3cn4ccccc4n3)cc2)c(OCCCN2CCCCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.77
DRD2 P14416 3/20 0.59
DRD3 P35462 3/20 0.59
HTR1A P08908 2/20 0.57
HTR7 P34969 2/20 0.57
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PKM P14618 1/20 0.56
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KCNH2 Q12809 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL5261357 0.87 HRH3 (1.00) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL6421374 0.86 HRH3 (0.98) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL6421371 0.85 HRH3 (0.84) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL5416238 0.84 HRH3 (1.00) HRH3DRD2DRD3ALDH1A1KDM4E
SCHEMBL6421382 0.79 HRH3 (0.73) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL4295616 0.78 HRH3 (1.00) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8086599 0.75 DRD3 (1.00) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL11020028 0.73 ALDH1A1 (0.85) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19322165 0.73 PDE5A (0.60) HRH3DRD2DRD3ALDH1A1KDM4E
SCHEMBL8086583 0.72 DRD2 (1.00) HRH3DRD2DRD3HTR1AHTR7

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