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SCHEMBL4635582

SCHEMBL4635582

CC1(C)CC(=O)c2ccc(C#Cc3cccnc3)nc2C1.N#Cc1cccc(C#Cc2ccc3c(n2)CCCC3=O)c1.O=C1CCCc2nc(C#Cc3cccc(Br)c3)ccc21.O=C1CCCc2nc(C#Cc3cnco3)ccc21.O=C1CCCc2nc(C#Cc3cncs3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 8/20 0.36
▸ MAOB P27338 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
SCHEMBL4635775 0.93 GRM5 (0.33) GRM5
SCHEMBL4781006 0.86 GRM5 (0.40) GRM5MAOB
SCHEMBL4635784 0.86 GRM5 (0.37) GRM5
SCHEMBL4635170 0.83 GRM5 (0.50) GRM5MAOB
SCHEMBL4636439 0.82 GRM5 (0.41) GRM5
SCHEMBL4635073 0.79 GRM5 (0.42) GRM5
SCHEMBL4634810 0.76 GRM5 (0.38) GRM5MAOB
SCHEMBL4332896 0.72 GRM5 (0.48) GRM5
SCHEMBL4325545 0.72 GRM5 (0.48) GRM5
SCHEMBL4340468 0.71 CYP2C19 (0.49) GRM5MAOB

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-1931635-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-06-18 — — EP disclosed
WO-2007023290-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 — — WO disclosed