SCHEMBL4680924

SCHEMBL4680924

N#Cc1cccc(-c2cc(-c3ccc4c(n3)CCCC4=O)no2)c1.N#Cc1cccc(-c2cn(-c3ccc4c(n3)CCCC4=O)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.40
MAOB P27338 2/20 0.40
SCD O00767 1/20 0.34
SCD5 Q86SK9 1/20 0.34
LRRK2 Q5S007 4/20 0.34
PGR P06401 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 1/20 0.33
USP30 Q70CQ3 3/20 0.33
MAOA P21397 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP1A2 P05177 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL4423454 0.89 GRM5 (0.48) GRM5MAOBLRRK2PGRCYP3A4
SCHEMBL4427166 0.88 GRM5 (0.46) GRM5MAOBSCDSCD5PGR
SCHEMBL8284586 0.77 GRM5 (0.54) GRM5MAOBLRRK2PGRMAOA
SCHEMBL4679544 0.75 GRM5 (0.45) GRM5HSD17B10ALDH1A1
SCHEMBL4683272 0.74 XDH (0.41) GRM5MAOBPGRMAOACYP11B2
SCHEMBL4419933 0.74 PGR (0.48) GRM5LRRK2PGRCYP2C19CYP11B2
SCHEMBL4433188 0.74 GRM5 (0.43) GRM5MAOBCYP3A4CYP2C19CYP2C9
SCHEMBL4423954 0.74 GRM5 (0.43) GRM5MAOBPGRCYP1A2
SCHEMBL4430455 0.74 GRM5 (0.49) GRM5MAOBLRRK2PGRMAOA
SCHEMBL4686098 0.73 GRM5 (0.44) GRM5MAOBLRRK2PGRCYP3A4

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
EP-1943247-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-07-16 EP disclosed
WO-2007023245-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO disclosed