SCHEMBL3400879

SCHEMBL3400879

CCN1CCc2nc(O[C@@H]3CCN(C4CCC4)C3)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.41
KCNH2 Q12809 3/20 0.36
MAOA P21397 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
MAOB P27338 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL3370842 1.00 HRH3 (0.41) HRH3KCNH2MAOAGABRG2GABRB3
SCHEMBL3370584 0.98 HRH3 (0.41) HRH3KCNH2MAOAGABRG2GABRB3
SCHEMBL3398980 0.98 HRH3 (0.41) HRH3KCNH2MAOAGABRG2GABRB3
SCHEMBL3372589 0.94 HRH3 (0.43) HRH3KCNH2
SCHEMBL3399689 0.92 HRH3 (0.43) HRH3KCNH2
SCHEMBL3402918 0.91 HRH3 (0.42) HRH3KCNH2
SCHEMBL3397891 0.85 PRMT5 (0.44) KCNH2MAOAGABRG2GABRB3GABRA5
SCHEMBL3399164 0.84 GABRG2 (0.40) HRH3KCNH2MAOAGABRG2GABRB3
SCHEMBL3401992 0.83 HRH3 (0.41) HRH3KCNH2MAOAMAOBPRMT5
SCHEMBL3399853 0.82 GRM5 (0.45) HRH3KCNH2GABRG2GABRB3GABRA5

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