SCHEMBL3372205

SCHEMBL3372205

CCN1CCc2nc(OC3CCN(C4CCC4)CC3)ncc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.39
HTR1A P08908 3/20 0.39
HTR2A P28223 3/20 0.39
DRD2 P14416 2/20 0.39
KCNH2 Q12809 3/20 0.37

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
SCHEMBL3368822 0.98 HTR1A (0.39) HRH3HTR1AHTR2ADRD2KCNH2
SCHEMBL3369491 0.85 HTR2A (0.47) HRH3HTR1AHTR2ADRD2
SCHEMBL3369487 0.85 HTR1A (0.39) HRH3HTR1AHTR2ADRD2
SCHEMBL3372589 0.83 HRH3 (0.43) HRH3KCNH2
SCHEMBL3399689 0.81 HRH3 (0.43) HRH3KCNH2
SCHEMBL3403197 0.81 HRH3 (0.42) HRH3KCNH2
SCHEMBL3370860 0.80 HRH3 (0.47) HRH3HTR1AHTR2ADRD2KCNH2
SCHEMBL3402918 0.80 HRH3 (0.42) HRH3KCNH2
SCHEMBL3372316 0.79 HRH3 (0.39) HRH3KCNH2
SCHEMBL3373696 0.78 HRH3 (0.39) 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 1 patent. 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