SCHEMBL24301522

SCHEMBL24301522

CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)C=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.52
▸ TACR1 P25103 6/20 0.51
▸ CCKBR P32239 5/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL24301524 0.92 TACR1 (0.54) TACR1KDM4EMEN1ALDH1A1LMNA
SCHEMBL24301893 0.91 TACR1 (0.60) TACR1KDM4EMEN1ALDH1A1LMNA
SCHEMBL24301247 0.91 CCKBR (0.52) TACR1CCKBRTP53MAPTCTSL
SCHEMBL24301402 0.91 MAPT (0.49) ACETACR1CCKBRKDM4EMEN1
SCHEMBL24301528 0.91 TACR1 (0.57) TACR1KDM4EMEN1ALDH1A1LMNA
SCHEMBL24301525 0.90 TACR1 (0.52) TACR1KDM4EMEN1ALDH1A1LMNA
SCHEMBL24301412 0.89 MAGI3 (0.49) ACETACR1CCKBRKDM4EMEN1
SCHEMBL24301895 0.88 TACR1 (0.51) TACR1CCKBRKDM4EMEN1ALDH1A1
SCHEMBL24301735 0.87 CTSL (0.53) TACR1CCKBRKDM4EMEN1ALDH1A1
SCHEMBL24301898 0.87 TACR1 (0.49) TACR1KDM4EMEN1ALDH1A1LMNA

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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