SCHEMBL20113023

SCHEMBL20113023

O=C1Cc2ccccc2C(C(=O)N2C(=O)OCC2Cc2ccccc2)N1CCCF

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.36
PPARA Q07869 4/20 0.35
GRM7 Q14831 1/20 0.34
IDH1 O75874 6/20 0.34
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
HDAC1 Q13547 2/20 0.33
PPARG P37231 1/20 0.32
FAAH O00519 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
SCHEMBL20113018 1.00 NAAA (0.36) NAAAPPARAGRM7IDH1CSNK2B
SCHEMBL19960662 1.00 NAAA (0.36) NAAAPPARAGRM7IDH1CSNK2B
SCHEMBL19960657 1.00 NAAA (0.36) NAAAPPARAGRM7IDH1CSNK2B
SCHEMBL19960659 0.93 NAAA (0.39) NAAAPPARAGRM7CSNK2BCSNK2A1
SCHEMBL19960508 0.85 GRM7 (0.47) NAAAPPARAGRM7IDH1CSNK2B
SCHEMBL20112962 0.85 GRM7 (0.47) NAAAPPARAGRM7IDH1CSNK2B
SCHEMBL19960656 0.85 GRM7 (0.47) NAAAPPARAGRM7IDH1CSNK2B
SCHEMBL19960655 0.85 GRM7 (0.47) NAAAPPARAGRM7IDH1CSNK2B
SCHEMBL25625979 0.80 GRM7 (0.33) GRM7
SCHEMBL19960658 0.77 GRM7 (0.43) GRM7HDAC1

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-2018079862-A1 MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 WO disclosed