SCHEMBL18601604

SCHEMBL18601604

CC(C)Nc1cc(N2CC(CNC(=O)O)C2)nc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.53
HRH3 Q9Y5N1 7/20 0.41
KCNH2 Q12809 1/20 0.41
NUDT1 P36639 3/20 0.40

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
SCHEMBL4001768 0.85 HRH4 (0.46) HRH4HRH3KCNH2NUDT1
SCHEMBL1775312 0.83 HRH4 (0.53) HRH4HRH3KCNH2NUDT1
SCHEMBL1774215 0.83 HRH4 (0.53) HRH4HRH3KCNH2NUDT1
SCHEMBL1775871 0.83 HRH4 (0.57) HRH4HRH3KCNH2NUDT1
SCHEMBL1776133 0.82 HRH4 (0.64) HRH4HRH3KCNH2NUDT1
SCHEMBL1773997 0.81 HRH4 (0.65) HRH4HRH3KCNH2
SCHEMBL1773837 0.80 LMNA (0.50) HRH4HRH3KCNH2
SCHEMBL1775159 0.78 HRH4 (0.51) HRH4HRH3KCNH2
SCHEMBL1775397 0.78 HRH4 (0.54) HRH4HRH3NUDT1
SCHEMBL18636560 0.78 HRH4 (0.66) HRH4HRH3NUDT1

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-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed