SCHEMBL20182835

SCHEMBL20182835

C[C@H](C(=O)NC1COc2ccccc2C1NC(=O)c1ccccc1C(=O)NI)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 9/20 0.62
P2RX7 Q99572 2/20 0.36
DGAT2 Q96PD7 1/20 0.36
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21559932 0.92 GRM7 (0.63) GRM7P2RX7DGAT2
SCHEMBL29909634 0.92 GRM7 (0.63) GRM7P2RX7DGAT2
SCHEMBL21542298 0.86 GRM7 (0.71) GRM7P2RX7DGAT2MEN1KMT2A
SCHEMBL21542296 0.86 GRM7 (0.71) GRM7P2RX7DGAT2MEN1KMT2A
SCHEMBL20182784 0.86 GRM7 (0.71) GRM7P2RX7DGAT2MEN1KMT2A
SCHEMBL21542216 0.81 GRM7 (0.76) GRM7P2RX7MEN1KMT2A
SCHEMBL20182770 0.81 GRM7 (0.76) GRM7P2RX7MEN1KMT2A
SCHEMBL21542214 0.81 GRM7 (0.76) GRM7P2RX7MEN1KMT2A
SCHEMBL21542337 0.78 GRM7 (0.71) GRM7P2RX7MEN1KMT2A
SCHEMBL20182935 0.78 GRM7 (0.71) GRM7P2RX7MEN1KMT2A

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