SCHEMBL3399164

SCHEMBL3399164

CCN1CCc2nc(OC3CCN(C4COC4)CC3)ccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA5 P31644 4/20 0.40
KCNH2 Q12809 4/20 0.40
PRMT5 O14744 7/20 0.39
WDR77 Q9BQA1 7/20 0.39
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
HRH3 Q9Y5N1 3/20 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
SCHEMBL3372589 0.90 HRH3 (0.43) KCNH2HRH3
SCHEMBL3399689 0.90 HRH3 (0.43) KCNH2HRH3
SCHEMBL3402918 0.89 HRH3 (0.42) KCNH2HRH3
SCHEMBL3397891 0.85 PRMT5 (0.44) GABRG2GABRB3GABRA5KCNH2PRMT5
SCHEMBL3400879 0.84 HRH3 (0.41) GABRG2GABRB3GABRA5KCNH2PRMT5
SCHEMBL3370842 0.84 HRH3 (0.41) GABRG2GABRB3GABRA5KCNH2PRMT5
SCHEMBL3370584 0.84 HRH3 (0.41) GABRG2GABRB3GABRA5KCNH2PRMT5
SCHEMBL3398980 0.84 HRH3 (0.41) GABRG2GABRB3GABRA5KCNH2PRMT5
SCHEMBL3372912 0.82 HRH3 (0.43) PRMT5WDR77HRH3
SCHEMBL3369747 0.81 GRM5 (0.41) GABRG2GABRB3GABRA5KCNH2PRMT5

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