SCHEMBL5040272

SCHEMBL5040272

CON(c1nc2c(cc1C#N)C(=O)CC(C)(C)C2)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 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
SCHEMBL5040222 0.76 POLB (0.53) POLBALDH1A1HTTTSHRMAPK1
SCHEMBL4421913 0.73 POLB (0.57) POLBALDH1A1HTT
SCHEMBL4426528 0.71 POLB (0.67) POLBALDH1A1HTTTSHRMAPK1
SCHEMBL4432937 0.70 POLB (0.59) POLBALDH1A1HTT
SCHEMBL4420196 0.69 POLB (0.53) POLBALDH1A1
SCHEMBL4420030 0.69 POLB (1.00) POLBALDH1A1HTTTSHRMAPK1
SCHEMBL4432477 0.67 ALDH1A1 (0.63) POLBALDH1A1TSHRMAPK1
SCHEMBL4423550 0.66 POLB (0.75) POLBALDH1A1HTTTSHRMAPK1
SCHEMBL4433266 0.65 POLB (0.47) POLBALDH1A1HTTMAPK1RAB9A
SCHEMBL4427122 0.65 POLB (0.53) POLBALDH1A1TSHRMAPK1RAB9A

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