SCHEMBL3399689

SCHEMBL3399689

CCN1CCc2nc(OC3CCN(C4CCCC4)CC3)ccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.43
KCNH2 Q12809 2/20 0.39
GRM5 P41594 2/20 0.38

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
SCHEMBL3402918 0.99 HRH3 (0.42) HRH3KCNH2GRM5
SCHEMBL3372589 0.98 HRH3 (0.43) HRH3KCNH2
SCHEMBL3370584 0.94 HRH3 (0.41) HRH3KCNH2GRM5
SCHEMBL3398980 0.94 HRH3 (0.41) HRH3KCNH2GRM5
SCHEMBL3370842 0.92 HRH3 (0.41) HRH3KCNH2
SCHEMBL3400879 0.92 HRH3 (0.41) HRH3KCNH2
SCHEMBL3399164 0.90 GABRG2 (0.40) HRH3KCNH2
SCHEMBL3397891 0.87 PRMT5 (0.44) KCNH2GRM5
SCHEMBL3402822 0.87 GRM5 (0.46) HRH3KCNH2GRM5
SCHEMBL3401992 0.87 HRH3 (0.41) HRH3KCNH2

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 3 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 claimed
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