SCHEMBL5040222

SCHEMBL5040222

CON(c1ccccc1)c1nc2c(cc1C#N)C(=O)CC(C)(C)C2

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.45
GRM5 P41594 1/20 0.45

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
SCHEMBL4420196 0.79 POLB (0.53) POLBALDH1A1
SCHEMBL5040272 0.76 POLB (0.52) POLBALDH1A1TSHRMAPK1RAB9A
SCHEMBL4421502 0.73 POLB (0.57) POLBALDH1A1HTTGRM5
SCHEMBL4423553 0.72 POLB (0.55) POLBALDH1A1MAPK1HTT
SCHEMBL4426528 0.71 POLB (0.67) POLBALDH1A1TSHRMAPK1RAB9A
SCHEMBL4427151 0.71 ALDH1A1 (0.68) POLBALDH1A1TSHRMAPK1RAB9A
Hydrochloric Acid SCHEMBL4432944 0.71 POLB (0.54) POLBALDH1A1MAPK1HTT
SCHEMBL4418749 0.71 ALDH1A1 (0.58) POLBALDH1A1HTT
SCHEMBL4423273 0.70 POLB (0.56) POLBALDH1A1TSHRMAPK1RAB9A
SCHEMBL13669686 0.70 POLB (0.53) POLBALDH1A1HTTGRM5

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