SCHEMBL3369476

SCHEMBL3369476

CS(=O)(=O)c1ccc(CN2CCc3nc(Cl)ccc3C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.42
CYP11B2 P19099 1/20 0.38
PRMT5 O14744 3/20 0.37
WDR77 Q9BQA1 3/20 0.37
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRM5 P41594 2/20 0.35
PTGS2 P35354 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3401858 0.83 LMNA (0.49) GABRG2GABRB3GABRA5KCNH2GRM5
SCHEMBL3406745 0.82 GRM5 (0.50) KCNH2GRM5
SCHEMBL10008685 0.82 GAA (0.51) POLBALDH1A1
SCHEMBL3371418 0.80 CHRM1 (0.43) PRMT5WDR77
SCHEMBL3371568 0.78 GRM5 (0.41) GRM5POLB
SCHEMBL3369079 0.76 HRH3 (0.40) GABRG2GABRB3GABRA5KCNH2
SCHEMBL3372611 0.75 GRM5 (0.38) PRMT5WDR77GRM5
SCHEMBL8767909 0.73 L3MBTL1 (0.49) CYP11B2PRMT5WDR77KCNH2PTGS2
SCHEMBL3369525 0.73 GRM5 (0.37) PRMT5WDR77GRM5
SCHEMBL3370941 0.73 GRM5 (0.47) GABRG2GABRB3GABRA5KCNH2GRM5

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