SCHEMBL3367155

SCHEMBL3367155

O=C1c2ccc(OC3CCN(C4CCC4)CC3)nc2CCN1Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.41
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
GABRA5 P31644 4/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
HRH3 Q9Y5N1 7/20 0.40
NCOA3 Q9Y6Q9 1/20 0.39
GRM5 P41594 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3402070 0.90 HRH3 (0.41) KCNH2HRH3GRM5
SCHEMBL3369079 0.87 HRH3 (0.40) KCNH2GABRG2GABRB3GABRA5HRH3
SCHEMBL3369867 0.85 HRH3 (0.41) KCNH2GABRG2GABRB3GABRA5HRH3
SCHEMBL3372589 0.84 HRH3 (0.43) KCNH2HRH3
SCHEMBL3399853 0.83 GRM5 (0.45) KCNH2GABRG2GABRB3GABRA5HRH3
SCHEMBL3400944 0.82 HRH3 (0.42) KCNH2HRH3
SCHEMBL3399689 0.82 HRH3 (0.43) KCNH2HRH3GRM5
SCHEMBL3402822 0.82 GRM5 (0.46) KCNH2GABRG2GABRB3GABRA5HRH3
SCHEMBL3401992 0.82 HRH3 (0.41) KCNH2HRH3
SCHEMBL3402918 0.81 HRH3 (0.42) KCNH2HRH3GRM5

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