SCHEMBL30103059

SCHEMBL30103059

COc1cc(-c2ccc(Cn3ncc4cc(Cl)cc(C(=O)O)c43)nc2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GRM5 P41594 1/20 0.39
GRIN1 Q05586 10/20 0.39
GRIN2B Q13224 10/20 0.39
CACNA1H O95180 2/20 0.37
GRM2 Q14416 1/20 0.37
ALKBH1 Q13686 1/20 0.37
FYN P06241 1/20 0.36
GRK6 P43250 1/20 0.36

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
SCHEMBL30103038 0.92 CACNA1H (0.39) GRM5GRIN1GRIN2BCACNA1HGRM2
SCHEMBL24784624 0.92 CACNA1H (0.39) GRM5GRIN1GRIN2BCACNA1HGRM2
SCHEMBL30103031 0.89 KDM4E (0.39) KDM4EGRM5GRIN1GRIN2BCACNA1H
SCHEMBL24785825 0.89 KDM4E (0.39) KDM4EGRM5GRIN1GRIN2BCACNA1H
SCHEMBL30103094 0.85 ALKBH1 (0.41) KDM4EGRM5GRIN1GRIN2BCACNA1H
SCHEMBL24785076 0.85 ALKBH1 (0.41) KDM4EGRM5GRIN1GRIN2BCACNA1H
SCHEMBL30103066 0.84 CACNA1H (0.40) KDM4EGRIN1GRIN2BCACNA1HGRM2
SCHEMBL24785361 0.83 DHODH (0.41) GRM2
SCHEMBL30103098 0.83 DHODH (0.41) GRM2
SCHEMBL24785815 0.83 GRIN2B (0.38) KDM4EGRIN2BCACNA1HGRM2ALKBH1

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
CN-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed