SCHEMBL20182998

SCHEMBL20182998

O=C(Cc1ccc(F)cc1)NC1COc2ccccc2C1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.47
GRM7 Q14831 2/20 0.41
NPC1L1 Q9UHC9 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
PSMB5 P28074 2/20 0.39
TSHR P16473 2/20 0.38
POLB P06746 2/20 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
SCHEMBL20182778 0.83 AIMP2 (0.49) AIMP2GRM7SIGMAR1KMT2AMEN1
SCHEMBL20183017 0.83 AIMP2 (0.49) AIMP2GRM7NPC1L1SIGMAR1PSMB5
SCHEMBL25626240 0.82 AIMP2 (0.47) AIMP2GRM7SIGMAR1KMT2AMEN1
SCHEMBL20182869 0.81 AIMP2 (0.56) AIMP2GRM7SIGMAR1MAPTPSMB5
SCHEMBL21542323 0.81 GRM7 (0.64) GRM7KMT2AMEN1TSHR
SCHEMBL21542325 0.81 GRM7 (0.64) GRM7KMT2AMEN1TSHR
SCHEMBL20182996 0.81 GRM7 (0.64) GRM7KMT2AMEN1TSHR
SCHEMBL20182999 0.79 AIMP2 (0.45) AIMP2GRM7SIGMAR1PSMB5TSHR
SCHEMBL20182785 0.78 AIMP2 (0.52) AIMP2GRM7SIGMAR1PSMB5POLB
SCHEMBL20182838 0.77 AIMP2 (0.51) AIMP2GRM7SIGMAR1PSMB5POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541812-B1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICALS CO (JP) 2023-06-14 EP disclosed
WO-2018092921-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-24 WO disclosed