SCHEMBL24579344

SCHEMBL24579344

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC(c1ccccc1)(c1ccc(C2CCCCCCCC2)cc1)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ REN P00797 3/20 0.37
▸ XIAP P98170 2/20 0.37
▸ LNPEP Q9UIQ6 2/20 0.36
▸ ACE P12821 3/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ CCR1 P32246 3/20 0.36
▸ CMA1 P23946 2/20 0.35

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
SCHEMBL24579230 0.92 PRCP (0.39) XIAPACEACE2
SCHEMBL24580397 0.89 PRCP (0.37) KMT2ARENCMA1
SCHEMBL29696596 0.89 KMT2A (0.43) KMT2ARENLNPEPACEACE2
SCHEMBL24580044 0.87 CCR1 (0.34) KMT2ACCR1
SCHEMBL24358308 0.83 CASP3 (0.38) CCR1
SCHEMBL23220747 0.83 CASP3 (0.38) CCR1
SCHEMBL24358309 0.83 CASP3 (0.38) CCR1
SCHEMBL24828861 0.82 PRCP (0.39) ACEACE2CCR1
SCHEMBL22388726 0.82 PRCP (0.39) ACEACE2CCR1
SCHEMBL22388727 0.82 PRCP (0.39) ACEACE2CCR1

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-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 — — WO disclosed
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