SCHEMBL24301425

SCHEMBL24301425

CCOC(=O)[C@@H](NC(=O)[C@H](CCC(=O)C=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.55
▸ EDNRA P25101 1/20 0.54
▸ TACR1 P25103 4/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ CASP4 P49662 1/20 0.51
▸ CASP5 P51878 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ CASP9 P55211 1/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ CASP8 Q14790 1/20 0.51
▸ CASP10 Q92851 1/20 0.51
▸ MAPT P10636 6/20 0.49
▸ MMP2 P08253 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 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
SCHEMBL24301250 0.94 MAGI3 (0.55) MAGI3EDNRATACR1CASP1CASP3
SCHEMBL24301742 0.94 MAGI3 (0.52) MAGI3EDNRATACR1CASP1CASP3
SCHEMBL24301426 0.93 CASP1 (0.57) MAGI3EDNRATACR1CASP1CASP3
SCHEMBL24301419 0.93 MAGI3 (0.54) MAGI3EDNRATACR1CASP1CASP3
SCHEMBL24301423 0.93 MAGI3 (0.52) MAGI3EDNRATACR1CASP1CASP3
SCHEMBL24301424 0.92 MAGI3 (0.53) MAGI3EDNRATACR1CASP1CASP3
SCHEMBL24302057 0.91 TACR1 (0.55) MAGI3EDNRATACR1MAPTMMP2
SCHEMBL24301218 0.90 TACR1 (0.52) MAGI3EDNRATACR1MAPTMMP2
SCHEMBL24301414 0.90 TACR1 (0.52) MAGI3EDNRATACR1MAPTMMP2
SCHEMBL22354631 0.90 TACR1 (0.58) TACR1MAPTMMP2MMP3LMNA

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-2022078462-A1 NOVEL GLUTAMINE ANALOGS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-04-21 — — WO disclosed
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