SCHEMBL3370618

SCHEMBL3370618

CCNCCc1nc(OC2CCN(C3CCC3)CC2)c(C#N)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.38
SGK1 O00141 2/20 0.36
NSD2 O96028 1/20 0.32
KCNH2 Q12809 1/20 0.32
PIK3CD O00329 1/20 0.31

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
SCHEMBL3369520 0.77 HRH3 (0.47) HRH3SGK1KCNH2
SCHEMBL3369084 0.73 HRH3 (0.43) HRH3SGK1KCNH2
SCHEMBL1038688 0.72 MAPT (0.43) HRH3SGK1NSD2
SCHEMBL3373696 0.70 HRH3 (0.39) HRH3SGK1KCNH2
SCHEMBL3369618 0.68 HRH3 (0.44) HRH3SGK1KCNH2
SCHEMBL1040150 0.68 MAPT (0.45) HRH3SGK1NSD2
SCHEMBL3373065 0.65 HRH3 (0.41) HRH3SGK1KCNH2
SCHEMBL1202695 0.64 HRH3 (0.37) HRH3SGK1KCNH2
SCHEMBL3369567 0.63 HRH3 (0.49) HRH3KCNH2
SCHEMBL12879172 0.62 HRH3 (0.36) HRH3SGK1KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO disclosed
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO disclosed