SCHEMBL21795667

SCHEMBL21795667

NC(=O)OC1CCOCC1COc1ccc(-c2ccc(Cl)cn2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.37
MAPK1 P28482 5/20 0.35
DGAT1 O75907 1/20 0.35
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34
BACE1 P56817 2/20 0.33
GRM4 Q14833 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
SCHEMBL21795648 0.85 XDH (0.39) FFAR4DGAT1GRM4
SCHEMBL21795636 0.85 XDH (0.39) FFAR4DGAT1GRM4
SCHEMBL21795670 0.82 KCNH2 (0.35) FFAR4DGAT1GRM4
SCHEMBL15420619 0.82 FFAR4 (0.41) FFAR4DGAT1GRM4
SCHEMBL12987351 0.78 GRIA2 (0.38) FFAR4MAPK1
SCHEMBL12988024 0.78 GRIA2 (0.38) FFAR4MAPK1
SCHEMBL12988368 0.78 GRIA2 (0.38) FFAR4MAPK1
SCHEMBL15420690 0.78 GRIA2 (0.38) FFAR4MAPK1
SCHEMBL15420449 0.78 GRIA2 (0.38) FFAR4MAPK1
SCHEMBL21795663 0.78 XDH (0.39) FFAR4DGAT1GRM4

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