SCHEMBL24890867

SCHEMBL24890867

COC(=O)c1ccc(N2CC(CN)OC2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.69
F10 P00742 3/20 0.55
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL10759100 0.86 F10 (0.57) GRM2F10ITGB3ITGA2BPRSS1
SCHEMBL29989248 0.85 F10 (0.59) GRM2F10ITGB3ITGA2BPRSS1
SCHEMBL8104546 0.82 GRM2 (0.61) GRM2
SCHEMBL2825793 0.82 GRM2 (1.00) GRM2
SCHEMBL12728922 0.80 GRM2 (0.64) GRM2F10
SCHEMBL15203256 0.80 GRM2 (0.64) GRM2F10
SCHEMBL14168239 0.80 F10 (0.66) GRM2F10
SCHEMBL4761237 0.80 F10 (0.59) GRM2F10
SCHEMBL24890849 0.80 SIRT1 (0.56) GRM2NPC1RAB9ASMN1; SMN2
Acetic Acid SCHEMBL9823748 0.79 GRM2 (0.58) GRM2F10

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
WO-2023284651-A1 N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 WO disclosed