SCHEMBL24301402

SCHEMBL24301402

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ TP53 P04637 2/20 0.49
▸ CTSL P07711 2/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ TACR1 P25103 6/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ THPO P40225 1/20 0.48

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
SCHEMBL24301412 0.92 MAGI3 (0.49) MAPTTP53CTSLCTSSCTSK
SCHEMBL24301247 0.92 CCKBR (0.52) MAPTTP53CTSLCTSSCTSK
SCHEMBL24301394 0.92 TACR1 (0.51) MAPTTP53TACR1KMT2AKDM4E
SCHEMBL24301522 0.91 ACE (0.52) MAPTTP53CTSLCTSSCTSK
SCHEMBL24301414 0.90 TACR1 (0.52) MAPTTP53TACR1KMT2AKDM4E
SCHEMBL24301218 0.90 TACR1 (0.52) MAPTTP53TACR1KMT2AKDM4E
SCHEMBL24301392 0.90 TACR1 (0.50) MAPTTP53TACR1KMT2AKDM4E
SCHEMBL24301424 0.90 MAGI3 (0.53) MAPTTP53CTSLCTSSCTSK
SCHEMBL24301418 0.89 NMBR (0.55) MAPTTP53CTSKTACR1KMT2A
SCHEMBL24301735 0.89 CTSL (0.53) MAPTTP53CTSLCTSSCTSK

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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