SCHEMBL24301269

SCHEMBL24301269

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.48
▸ MMP9 P14780 3/20 0.48
▸ MMP8 P22894 3/20 0.48
▸ MMP2 P08253 2/20 0.48
▸ TACR1 P25103 4/20 0.48
▸ TACR3 P29371 1/20 0.48
▸ CASP1 P29466 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ CASP4 P49662 1/20 0.47
▸ CASP5 P51878 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ CASP9 P55211 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ CASP8 Q14790 1/20 0.47
▸ CASP10 Q92851 1/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ KISS1R Q969F8 1/20 0.46
▸ IL23R Q5VWK5 1/20 0.46
▸ KMT2A Q03164 2/20 0.46

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
SCHEMBL24301896 0.95 MAGI3 (0.52) MAGI3MMP9MMP8MMP2TACR1
SCHEMBL24301899 0.94 TACR1 (0.54) MMP9MMP8MMP2TACR1TACR3
SCHEMBL22354581 0.94 TACR1 (0.52) MMP9MMP8MMP2TACR1TACR3
SCHEMBL22355217 0.94 TACR1 (0.52) MMP9MMP8MMP2TACR1TACR3
SCHEMBL24301263 0.93 MMP9 (0.50) MMP9MMP8MMP2TACR1TACR3
SCHEMBL24301900 0.92 TACR1 (0.49) MAGI3MMP9MMP8MMP2TACR1
SCHEMBL24301420 0.91 ERAP2 (0.51) MMP9MMP8MMP2TACR1TACR3
SCHEMBL24301264 0.91 TACR1 (0.49) MAGI3MMP9MMP8MMP2TACR1
SCHEMBL24301905 0.91 ACE (0.50) MMP9MMP8MMP2TACR1TACR3
SCHEMBL24301259 0.91 ERAP2 (0.51) MMP9MMP8MMP2TACR1TACR3

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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