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Sugi Predict / Compounds / SCHEMBL4781006

SCHEMBL4781006

SCHEMBL4781006

N#Cc1cccc(C#Cc2ccc3c(n2)CCCC3=O)c1.O=C1CCCc2nc(C#Cc3cccc(Br)c3)ccc21.O=C1CCCc2nc(C#Cc3cccc(Cl)c3)ccc21.O=C1CCCc2nc(C#Cc3cnco3)ccc21.O=C1CCCc2nc(C#Cc3cncs3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 12/20 0.40
▸ MAOB P27338 2/20 0.34
▸ MAOA P21397 1/20 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
SCHEMBL4635170 0.88 GRM5 (0.50) GRM5MAOB
SCHEMBL4635582 0.86 GRM5 (0.36) GRM5MAOB
SCHEMBL4635775 0.85 GRM5 (0.33) GRM5
SCHEMBL4636439 0.81 GRM5 (0.41) GRM5
SCHEMBL4635802 0.73 GRM5 (0.47) GRM5
SCHEMBL4343710 0.73 GRM5 (0.71) GRM5MAOB
SCHEMBL4321100 0.73 GRM5 (0.71) GRM5
SCHEMBL4328445 0.73 GRM5 (0.71) GRM5MAOBMAOA
SCHEMBL4338033 0.72 GRM5 (0.58) GRM5
SCHEMBL4328414 0.72 GRM5 (0.58) GRM5

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 claimed
WO-2007023290-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 — — WO claimed