SCHEMBL3368822

SCHEMBL3368822

CCN1CCc2nc(OC3CCN(C4CCCC4)CC3)ncc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.39
HTR2A P28223 3/20 0.39
DRD2 P14416 2/20 0.39
HRH3 Q9Y5N1 15/20 0.39
HSP90AA1 P07900 2/20 0.37
KCNH2 Q12809 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
SCHEMBL3372205 0.98 HRH3 (0.39) HTR1AHTR2ADRD2HRH3KCNH2
SCHEMBL3369491 0.85 HTR2A (0.47) HTR1AHTR2ADRD2HRH3HSP90AA1
SCHEMBL3369487 0.85 HTR1A (0.39) HTR1AHTR2ADRD2HRH3HSP90AA1
SCHEMBL3399689 0.83 HRH3 (0.43) HRH3KCNH2
SCHEMBL3402918 0.82 HRH3 (0.42) HRH3KCNH2
SCHEMBL3372589 0.81 HRH3 (0.43) HRH3KCNH2
SCHEMBL3403197 0.78 HRH3 (0.42) HRH3KCNH2
SCHEMBL3370860 0.78 HRH3 (0.47) HTR1AHTR2ADRD2HRH3KCNH2
SCHEMBL3372316 0.77 HRH3 (0.39) HRH3KCNH2
SCHEMBL3370584 0.77 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 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 claimed
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO disclosed