SCHEMBL18636601

SCHEMBL18636601

CC(C)(C)CCNc1cc(N2CC3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)nc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.54
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
RET P07949 1/20 0.36
AURKA O14965 3/20 0.36
PDPK1 O15530 3/20 0.36
AURKB Q96GD4 3/20 0.36
GPR119 Q8TDV5 2/20 0.34
SCN5A Q14524 1/20 0.34
SCN3A Q9NY46 1/20 0.34

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
SCHEMBL12604978 1.00 HRH4 (0.54) HRH4NR1H2NR1H3KCNH2HRH3
SCHEMBL18601606 0.90 HRH4 (0.57) HRH4KCNH2HRH3
SCHEMBL18601607 0.90 HRH4 (0.57) HRH4KCNH2HRH3
SCHEMBL18636768 0.82 LMNA (0.47) HRH4NR1H2NR1H3RETAURKA
SCHEMBL18636767 0.82 LMNA (0.47) HRH4NR1H2NR1H3RETAURKA
SCHEMBL12604962 0.82 LMNA (0.47) HRH4NR1H2NR1H3RETAURKA
SCHEMBL3211110 0.81 HRH4 (0.54) HRH4NR1H2NR1H3HRH3
SCHEMBL18636769 0.77 HRH4 (0.69) HRH4KCNH2HRH3AURKAPDPK1
SCHEMBL12604980 0.76 HRH4 (0.60) HRH4KCNH2HRH3AURKAPDPK1
SCHEMBL23855422 0.75 PIK3CD (0.38) HRH4NR1H2NR1H3RETAURKA

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