SCHEMBL21795648

SCHEMBL21795648

NC(=O)OC1CCOCC1COc1ccc(-c2ccc(Cl)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.39
GPR119 Q8TDV5 1/20 0.35
ATF4 P18848 1/20 0.35
FFAR4 Q5NUL3 4/20 0.34
GRM4 Q14833 1/20 0.34
DGAT1 O75907 3/20 0.33
MCHR1 Q99705 2/20 0.33
CYP1A2 P05177 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
ITGA5 P08648 1/20 0.32
GABRA5 P31644 1/20 0.32
MTOR P42345 1/20 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
SCHEMBL21795636 1.00 XDH (0.39) XDHGPR119ATF4FFAR4GRM4
SCHEMBL21795663 0.88 XDH (0.39) XDHGPR119FFAR4GRM4DGAT1
SCHEMBL21795659 0.88 NPC1 (0.39) XDHGPR119ATF4FFAR4
SCHEMBL21795638 0.87 KDM4E (0.42) XDHGPR119KDM1A
SCHEMBL21795667 0.85 FFAR4 (0.37) FFAR4GRM4DGAT1
SCHEMBL21795670 0.85 KCNH2 (0.35) GPR119FFAR4GRM4DGAT1
SCHEMBL15420648 0.80 DGAT1 (0.39) XDHATF4FFAR4GRM4DGAT1
SCHEMBL12989748 0.80 DGAT1 (0.39) XDHATF4FFAR4GRM4DGAT1
SCHEMBL12989747 0.80 DGAT1 (0.39) XDHATF4FFAR4GRM4DGAT1
Hydrochloric Acid SCHEMBL15420859 0.79 KDM1A (0.41) XDHATF4FFAR4GRM4MCHR1

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