SCHEMBL1774995

SCHEMBL1774995

CNC1C2CN(c3nc(N)nc(N)c3CC(C)(C)C)CC21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.36
HRH3 Q9Y5N1 10/20 0.36
KCNH2 Q12809 4/20 0.34
HRH1 P35367 3/20 0.33
HRH2 P25021 2/20 0.33

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
SCHEMBL1774997 1.00 HRH4 (0.36) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL1775000 1.00 HRH4 (0.36) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL1773721 0.87 HRH4 (0.37) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL1773719 0.87 HRH4 (0.37) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL1773718 0.87 HRH4 (0.37) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL603790 0.86 HRH4 (0.48) HRH4HRH3KCNH2HRH1HRH2
Hydrochloric Acid SCHEMBL604796 0.85 HRH4 (0.47) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL1774508 0.82 HRH4 (0.34) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL1774121 0.80 HRH4 (0.57) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL1775186 0.80 HRH4 (0.57) HRH4HRH3KCNH2HRH1HRH2

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-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 US disclosed