Sugi Predict

Sugi Predict / Compounds / SCHEMBL4635190

SCHEMBL4635190

SCHEMBL4635190

CC1(C)CC(=O)c2ccc(C#Cc3cccc(O)c3)nc2C1.COc1cccc(C#Cc2ccc3c(n2)CC(C)(C)CC3=O)c1.Cc1cccc(C#Cc2ccc3c(n2)CC(C)(C)CC3=O)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 11/20 0.50
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TP53 P04637 1/20 0.38

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
SCHEMBL4327965 0.90 GRM5 (0.60) GRM5CYP2C19ALDH1A1
SCHEMBL4343720 0.88 GRM5 (0.48) GRM5CYP2C19ALDH1A1
SCHEMBL4342428 0.87 GRM5 (0.57) GRM5CYP2C19ALDH1A1
SCHEMBL4636362 0.85 GRM5 (0.55) GRM5CYP2C19
SCHEMBL4635373 0.80 GRM5 (0.50) GRM5TP53
SCHEMBL4635572 0.80 GRM5 (0.48) GRM5
SCHEMBL4634745 0.79 GRM5 (0.53) GRM5CYP2C19
SCHEMBL4635256 0.78 GRM5 (0.49) GRM5
SCHEMBL4335449 0.76 GRM5 (0.59) GRM5CYP2C19ALDH1A1
SCHEMBL4635073 0.76 GRM5 (0.42) 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