SCHEMBL4736631

SCHEMBL4736631

CC1(C)CCc2nc(-n3cnc(-c4ccnc(-c5cccc(F)c5)c4-c4cccc(F)c4)c3)ccc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.34
MAPKAPK2 P49137 6/20 0.32
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
DYRK1A Q13627 1/20 0.31
PDE10A Q9Y233 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
RORC P51449 1/20 0.30
PTPN11 Q06124 2/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
CYP1A2 P05177 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL4683088 0.86 GRM5 (0.37) GRM5MAPKAPK2PARP10PARP11CYP1A2
SCHEMBL4679372 0.84 GRM5 (0.40) GRM5MAPKAPK2CYP1A2
SCHEMBL4686152 0.83 GRM5 (0.36) GRM5MAPKAPK2HSP90AA1
SCHEMBL8248263 0.77 GRM5 (0.40) GRM5
SCHEMBL4686336 0.77 CYP11B2 (0.40) GRM5
SCHEMBL4737979 0.76 GRM5 (0.38) GRM5MAPKAPK2PARP10PARP11HSP90AA1
SCHEMBL4686098 0.74 GRM5 (0.44) GRM5CYP1A2
SCHEMBL4686025 0.74 GRM5 (0.40) GRM5HSP90AA1HSP90AB1
SCHEMBL4684269 0.74 GRM5 (0.40) GRM5CYP1A2
SCHEMBL4684250 0.73 GRM5 (0.40) GRM5HSP90AA1

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 claimed
WO-2007023245-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO claimed