SCHEMBL4301980

SCHEMBL4301980

O=C1[N]c2cc(F)c(Cl)c(C3CCNCC3)c2N1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
PLG P00747 2/20 0.34
HTR1A P08908 4/20 0.32
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 4/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
PLAT P00750 3/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TNKS O95271 2/20 0.31
TNKS2 Q9H2K2 2/20 0.31

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
SCHEMBL4302600 0.81 PARP1 (0.34)
SCHEMBL2229900 0.78
SCHEMBL6160094 0.71 TLR9 (0.36) GABRA1GABRG2GABRB3PLGHTR1A
SCHEMBL4301470 0.66 MAPT (0.34) GABRA1GABRG2GABRB3PLGHTR1A
SCHEMBL4303824 0.63 TNKS (0.37) GABRA1GABRG2GABRB3PLGMAPT
SCHEMBL23216734 0.62 QDPR (0.45) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL29768468 0.62 QDPR (0.45) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL788535 0.62 QDPR (0.45) MAPTTHRBTNKSTNKS2
SCHEMBL30232420 0.61 SLC6A2 (0.46) GABRA1GABRG2GABRB3PLGHTR1A
SCHEMBL4959377 0.60 MAPKAPK2 (0.36) GABRA1GABRG2GABRB3PLGMAPT

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-2009124882-A1 NOVEL PIPERIDINYL-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-10-15 WO disclosed
WO-2009124883-A1 NOVEL 1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-10-15 WO disclosed