SCHEMBL24302534

SCHEMBL24302534

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.54
▸ SIRT5 Q9NXA8 1/20 0.49
▸ TACR1 P25103 3/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ EDNRA P25101 1/20 0.48
▸ ACE P12821 2/20 0.47
▸ ECE1 P42892 2/20 0.47
▸ GHSR Q92847 1/20 0.46
▸ BCL2A1 Q16548 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ BID P55957 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ ALOX15 P16050 1/20 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
SCHEMBL24301726 0.95 ACE (0.52) MAGI3SIRT5TACR1ACEECE1
SCHEMBL24301411 0.91 MAGI3 (0.52) MAGI3TACR1CASP1CASP3CASP7
SCHEMBL24301217 0.89 MAGI3 (0.51) MAGI3SIRT5TACR1CASP1CASP3
SCHEMBL24301742 0.89 MAGI3 (0.52) MAGI3SIRT5TACR1CASP1CASP3
SCHEMBL24301284 0.88 NMBR (0.54) MAGI3SIRT5TACR1CASP1CASP3
SCHEMBL24301412 0.88 MAGI3 (0.49) MAGI3TACR1CASP1CASP3CASP7
SCHEMBL24301398 0.88 MAGI3 (0.48) MAGI3SIRT5TACR1CASP1CASP3
SCHEMBL24301266 0.88 MAGI3 (0.48) MAGI3SIRT5TACR1CASP1CASP3
SCHEMBL22247784 0.87 ALOX15 (0.59) TACR1ACEECE1ALOX15
SCHEMBL24302207 0.86 MMP9 (0.62) MAGI3TACR1ACEECE1ALOX15

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
Send feedback