SCHEMBL6421374

SCHEMBL6421374

c1ccn2cc(-c3ccc(-c4ccc(OCCCN5CCCCC5)cc4)cc3)nc2c1

nearest known ligand 0.98

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.98
DRD2 P14416 4/20 0.68
DRD3 P35462 4/20 0.68
KDM4E B2RXH2 1/20 0.64
NPC1 O15118 1/20 0.64
ALDH1A1 P00352 1/20 0.64
PKM P14618 1/20 0.64
NFKB1 P19838 1/20 0.64
RAB9A P51151 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HTR1A P08908 2/20 0.62
HTR7 P34969 2/20 0.62
HRH1 P35367 1/20 0.62
KCNH2 Q12809 1/20 0.62

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 0.99 HRH3 (1.00) HRH3DRD2DRD3KDM4ENPC1
SCHEMBL6421371 0.90 HRH3 (0.84) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL6421366 0.86 HRH3 (0.77) HRH3DRD2DRD3KDM4EALDH1A1
SCHEMBL6421382 0.83 HRH3 (0.73) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL4653816 0.83 HRH3 (1.00) HRH3DRD2DRD3
SCHEMBL6291771 0.83 HRH3 (1.00) HRH3DRD2DRD3
SCHEMBL5416238 0.82 HRH3 (1.00) HRH3DRD2DRD3KDM4ENPC1
SCHEMBL5257756 0.81 HRH3 (1.00) HRH3DRD2DRD3
SCHEMBL8086599 0.81 DRD3 (1.00) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL19322156 0.81 NPC1 (0.90) HRH3DRD2DRD3KDM4ENPC1

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