SCHEMBL3467504

SCHEMBL3467504

Nc1nc(NC2CC2)cc(N2CC3CCCNC3C2)n1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.69
NUDT1 P36639 3/20 0.58
ROCK1 Q13464 1/20 0.50
CHRM3 P20309 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HTR3A P46098 1/20 0.39

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
SCHEMBL3467508 1.00 HRH4 (0.69) HRH4NUDT1ROCK1CHRM3PDE4A
SCHEMBL18601605 0.97 HRH4 (0.67) HRH4NUDT1ROCK1HTR3A
SCHEMBL18636736 0.85 HRH4 (0.67) HRH4NUDT1ROCK1HTR3A
SCHEMBL12605022 0.85 HRH4 (0.67) HRH4NUDT1ROCK1HTR3A
SCHEMBL1775550 0.84 HRH4 (0.66) HRH4NUDT1ROCK1HTR3A
SCHEMBL1775551 0.84 HRH4 (0.66) HRH4NUDT1ROCK1HTR3A
SCHEMBL3190045 0.84 HRH4 (0.60) HRH4NUDT1ROCK1HTR3A
SCHEMBL3190040 0.84 HRH4 (0.60) HRH4NUDT1ROCK1HTR3A
SCHEMBL18486240 0.81 HRH4 (0.62) HRH4ROCK1HTR3A
SCHEMBL5155514 0.81 HRH4 (0.62) HRH4ROCK1HTR3A

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-2010072829-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-07-01 WO disclosed