SCHEMBL21795654

SCHEMBL21795654

NC(=O)O[C@H]1COCC[C@H]1COc1ccc(-c2ncc(F)cc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
MAPK1 P28482 1/20 0.36
XDH P47989 1/20 0.36
GRM4 Q14833 3/20 0.35
FFAR4 Q5NUL3 9/20 0.35
FFAR1 O14842 1/20 0.34
KDM1A O60341 2/20 0.33
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33

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
SCHEMBL15420103 0.82 GRM5 (0.39) GRM5MAPK1XDHGRM4FFAR4
SCHEMBL21795663 0.77 XDH (0.39) GRM5XDHGRM4FFAR4FPR2
SCHEMBL15420514 0.77 GRM5 (0.36) GRM5XDHGRM4FFAR4FFAR1
SCHEMBL12987104 0.76 GRM5 (0.36) GRM5XDHGRM4FFAR4FFAR1
SCHEMBL15420273 0.75 GRM5 (0.36) GRM5XDHGRM4FFAR4FFAR1
SCHEMBL12987565 0.75 GRM5 (0.36) GRM5XDHGRM4FFAR4FFAR1
SCHEMBL12987181 0.75 GRM5 (0.36) GRM5XDHGRM4FFAR4FFAR1
SCHEMBL13192630 0.75 GRM5 (0.36) GRM5XDHGRM4FFAR4FFAR1
SCHEMBL12987659 0.74 GRM5 (0.36) GRM5XDHGRM4FFAR4FFAR1
SCHEMBL12987780 0.74 GRM5 (0.36) GRM5XDHGRM4FFAR4FFAR1

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-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed