SCHEMBL13669686

SCHEMBL13669686

CC(Nc1nc2c(cc1C#N)C(=O)CC(C)(C)C2)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.45
GRM5 P41594 1/20 0.42

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
SCHEMBL8282913 0.84 ALDH1A1 (0.48) ALDH1A1HPGDHTTGRM5
SCHEMBL4433042 0.83 ALDH1A1 (0.52) ALDH1A1HPGDHTTGRM5
SCHEMBL4421502 0.82 POLB (0.57) POLBALDH1A1HTTGRM5
Hydrochloric Acid SCHEMBL4432944 0.80 POLB (0.54) POLBALDH1A1HTT
SCHEMBL5035975 0.78 POLB (0.52) POLBALDH1A1HTT
SCHEMBL4433327 0.77 POLB (0.53) POLB
SCHEMBL4433648 0.76 CYP2C19 (0.51) POLBALDH1A1HPGDHTTGRM5
SCHEMBL4423861 0.75 POLB (0.51) POLB
SCHEMBL4427115 0.75 POLB (0.56) POLBALDH1A1HTTGRM5
SCHEMBL4421913 0.73 POLB (0.57) POLBALDH1A1HTT

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
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 US disclosed
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 US disclosed