SCHEMBL3402540

SCHEMBL3402540

CN1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.47
KCNH2 Q12809 4/20 0.43
GRM5 P41594 3/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL3401594 0.86 HRH3 (0.48) HRH3KCNH2GRM5
SCHEMBL3372589 0.86 HRH3 (0.43) HRH3KCNH2
SCHEMBL3399192 0.84 HRH3 (0.43) HRH3KCNH2GRM5
SCHEMBL3400944 0.84 HRH3 (0.42) HRH3KCNH2
SCHEMBL3399689 0.84 HRH3 (0.43) HRH3KCNH2GRM5
SCHEMBL3401992 0.83 HRH3 (0.41) HRH3KCNH2
SCHEMBL3395406 0.83 HRH3 (0.41) HRH3KCNH2ADRA1A
SCHEMBL3399853 0.83 GRM5 (0.45) HRH3KCNH2GRM5
SCHEMBL3402918 0.83 HRH3 (0.42) HRH3KCNH2GRM5
SCHEMBL7915174 0.81 HRH3 (0.40) 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 disclosed
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO disclosed