SCHEMBL6209016

SCHEMBL6209016

CCOC(=O)Oc1c(C)nc(C#Cc2cccc(OC)c2)n1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.43
FFAR1 O14842 1/20 0.42
HAO1 Q9UJM8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
EGLN1 Q9GZT9 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
SCHEMBL6207660 0.88 GRM5 (0.43) GRM5FFAR1EGLN1
SCHEMBL6208783 0.86 ADORA3 (0.42) GRM5FFAR1
SCHEMBL6212636 0.84 GRM5 (0.47) GRM5
SCHEMBL6198861 0.83 GRM5 (0.44) GRM5FFAR1
SCHEMBL6208345 0.80 ADORA3 (0.41) GRM5
SCHEMBL6209784 0.79 GABRA2 (0.37) GRM5L3MBTL1
SCHEMBL6208213 0.79 GRM5 (0.43) GRM5FFAR1
SCHEMBL6207945 0.78 TDP1 (0.34) TDP1
SCHEMBL6208296 0.75 GRM5 (0.45) GRM5
SCHEMBL6200156 0.70 GRM5 (0.43) GRM5FFAR1TDP1L3MBTL1

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-1349839-B1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-02-09 EP claimed