Sugi Predict

Sugi Predict / Compounds / SCHEMBL4636374

SCHEMBL4636374

SCHEMBL4636374

CC1(C)CC(=O)c2ccc(C#Cc3cc(F)cc(-c4nnn[nH]4)c3)nc2C1.CC1(C)CCc2nc(C#Cc3cc(F)cc(-c4nnn[nH]4)c3)ccc2C1=O.O=C1CCCc2nc(C#Cc3cccc(-c4nnn[nH]4)c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 18/20 0.46

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
SCHEMBL4636391 0.92 GRM5 (0.54) GRM5
SCHEMBL4666475 0.88 GRM5 (0.41) GRM5
SCHEMBL4335240 0.86 GRM5 (0.55) GRM5
SCHEMBL4321267 0.85 GRM5 (0.39) GRM5
SCHEMBL4321211 0.85 GRM5 (0.62) GRM5
SCHEMBL4337089 0.84 GRM5 (0.41) GRM5
SCHEMBL4334637 0.82 GRM5 (0.51) GRM5
SCHEMBL4335199 0.81 GRM5 (0.59) GRM5
SCHEMBL4339146 0.75 GRM5 (0.74) GRM5
SCHEMBL4335449 0.73 GRM5 (0.59) 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 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