SCHEMBL3370875

SCHEMBL3370875

O=C1c2ccc(Cl)nc2CCN1CC1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.47
AOC3 Q16853 2/20 0.43
BRD4 O60885 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
KCNH2 Q12809 3/20 0.37
GRM2 Q14416 3/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
TNIK Q9UKE5 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL3370931 0.92 GRM5 (0.54) GRM5KCNH2GRM2
SCHEMBL3402683 0.89 GRM5 (0.52) GRM5KCNH2GRM2TNIK
SCHEMBL3371568 0.77 GRM5 (0.41) GRM5
SCHEMBL3372715 0.74 GRM5 (0.42) GRM5AOC3KCNH2GABRG2GABRB3
SCHEMBL3406745 0.74 GRM5 (0.50) GRM5KCNH2GRM2
SCHEMBL3372611 0.74 GRM5 (0.38) GRM5PRMT5WDR77
SCHEMBL22725932 0.73 AOC3 (0.59) GRM5AOC3PRMT5WDR77
SCHEMBL3370941 0.72 GRM5 (0.47) GRM5AOC3KCNH2GABRG2GABRB3
SCHEMBL3401858 0.72 LMNA (0.49) GRM5KCNH2GRM2GABRG2GABRB3
SCHEMBL3369525 0.72 GRM5 (0.37) GRM5PRMT5WDR77

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