SCHEMBL21795670

SCHEMBL21795670

NC(=O)OC1CCOCC1COc1ccc(-c2ccc(Cl)cn2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
GPR119 Q8TDV5 2/20 0.35
PARP10 Q53GL7 2/20 0.35
PARP15 Q460N3 1/20 0.35
FFAR4 Q5NUL3 4/20 0.34
DGAT1 O75907 1/20 0.34
FFAR1 O14842 4/20 0.33
GRM4 Q14833 1/20 0.33
CYP2C8 P10632 1/20 0.33
GRM2 Q14416 3/20 0.33
TRPV4 Q9HBA0 2/20 0.32

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
SCHEMBL12986558 0.91 GRM5 (0.38) PARP10PARP15FFAR4DGAT1FFAR1
SCHEMBL21795636 0.85 XDH (0.39) GPR119FFAR4DGAT1GRM4
SCHEMBL21795648 0.85 XDH (0.39) GPR119FFAR4DGAT1GRM4
SCHEMBL21795667 0.82 FFAR4 (0.37) FFAR4DGAT1GRM4
SCHEMBL15420401 0.82 KCNH2 (0.38) KCNH2GPR119FFAR4DGAT1FFAR1
SCHEMBL15420745 0.78 SMO (0.40) KCNH2GPR119DGAT1FFAR1CYP2C8
SCHEMBL15420466 0.78 SMO (0.40) KCNH2GPR119DGAT1FFAR1CYP2C8
SCHEMBL12987399 0.78 SMO (0.40) KCNH2GPR119DGAT1FFAR1CYP2C8
SCHEMBL21795663 0.78 XDH (0.39) GPR119FFAR4DGAT1GRM4
SCHEMBL15419974 0.78 SMO (0.34) KCNH2GPR119DGAT1FFAR1GRM4

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