Sugi Predict

Sugi Predict / Compounds / SCHEMBL4634739

SCHEMBL4634739

SCHEMBL4634739

CC1(C)CC(=O)c2ccc(C#Cc3cccc(Br)c3)nc2C1.CC1(C)CC(=O)c2ccc(C#Cc3cccc(Cl)c3)nc2C1.CC1(C)CC(=O)c2ccc(C#Cc3cccc(F)c3)nc2C1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 17/20 0.48
▸ CYP2C19 P33261 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39

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
SCHEMBL4326741 0.89 GRM5 (0.58) GRM5CYP2C19CYP11B2
SCHEMBL4325545 0.89 GRM5 (0.48) GRM5CYP2C19
SCHEMBL4335449 0.88 GRM5 (0.59) GRM5CYP2C19
SCHEMBL4635373 0.87 GRM5 (0.50) GRM5
SCHEMBL4636439 0.81 GRM5 (0.41) GRM5
SCHEMBL4636362 0.81 GRM5 (0.55) GRM5CYP2C19
SCHEMBL4342428 0.78 GRM5 (0.57) GRM5CYP2C19
SCHEMBL4635802 0.77 GRM5 (0.47) GRM5
SCHEMBL4332896 0.77 GRM5 (0.48) GRM5CYP2C19
SCHEMBL4343720 0.77 GRM5 (0.48) GRM5CYP2C19

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