SCHEMBL5035975

SCHEMBL5035975

CC1(C)CC(=O)c2cc(C#N)c(NCCc3ccccc3)nc2C1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL4423553 0.90 POLB (0.55) POLBALDH1A1HTT
Hydrochloric Acid SCHEMBL4432944 0.89 POLB (0.54) POLBALDH1A1HTT
SCHEMBL5046079 0.82 ALDH1A1 (0.60) ALDH1A1
SCHEMBL4418716 0.82 POLB (0.50) POLBALDH1A1
SCHEMBL4421502 0.81 POLB (0.57) POLBALDH1A1HTT
SCHEMBL13669686 0.78 POLB (0.53) POLBALDH1A1HTT
SCHEMBL4427151 0.77 ALDH1A1 (0.68) POLBALDH1A1HTT
SCHEMBL4420196 0.76 POLB (0.53) POLBALDH1A1
SCHEMBL4433327 0.76 POLB (0.53) POLB
SCHEMBL10025795 0.75 ALDH1A1 (0.70) ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723116-B1 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO KGAA (DE) 2008-09-24 EP claimed