SCHEMBL24301247

SCHEMBL24301247

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 4/20 0.52
▸ ERAP2 Q6P179 4/20 0.49
▸ IL1RN P18510 3/20 0.49
▸ ERAP1 Q9NZ08 3/20 0.49
▸ REN P00797 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSS P25774 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ TACR1 P25103 2/20 0.47

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
SCHEMBL24301402 0.92 MAPT (0.49) CCKBRRENTP53MAPTCTSL
SCHEMBL24301268 0.92 IL1RN (0.55) ERAP2IL1RNERAP1TACR1
SCHEMBL24301412 0.91 MAGI3 (0.49) CCKBRRENTP53MAPTCTSL
SCHEMBL24301522 0.91 ACE (0.52) CCKBRRENTP53MAPTCTSL
SCHEMBL24301420 0.91 ERAP2 (0.51) ERAP2IL1RNERAP1TACR1
SCHEMBL24301243 0.91 TACR1 (0.53) ERAP2IL1RNERAP1TP53MAPT
SCHEMBL24301257 0.89 ERAP2 (0.63) ERAP2IL1RNERAP1RENTP53
SCHEMBL24301424 0.89 MAGI3 (0.53) CCKBRRENTP53MAPTCTSL
SCHEMBL24301283 0.88 ERAP2 (0.49) ERAP2IL1RNERAP1MAPTTACR1
SCHEMBL24301735 0.87 CTSL (0.53) CCKBRRENTP53MAPTCTSL

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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