SCHEMBL1966112

SCHEMBL1966112

CN1CCN(c2nc(N)nc(N(C)C)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 18/20 0.64
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL15671736 0.85 HRH4 (0.44) HRH4
SCHEMBL5032275 0.85 HRH4 (0.78) HRH4HRH3
SCHEMBL2453047 0.84 ALDH1A1 (0.46) HRH4
SCHEMBL15671734 0.79 PKM (0.55) HRH4
SCHEMBL4369596 0.78 HRH4 (1.00) HRH4HRH3
SCHEMBL17581165 0.76 HRH4 (0.66) HRH4HRH3
SCHEMBL19439697 0.75 HRH4 (0.64) HRH4HRH3
SCHEMBL3132475 0.75 HRH4 (0.48) HRH4
SCHEMBL12455903 0.74 HRH4 (1.00) HRH4
SCHEMBL11150401 0.73 HRH4 (0.59) HRH4HRH3

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
EP-2334665-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed