SCHEMBL25565156

SCHEMBL25565156

CN[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(C)=O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 3/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
XIAP P98170 1/20 0.30
BIRC2 Q13490 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL25602961 1.00 KISS1R (0.31) KISS1RMMEACECPA1ACE2
SCHEMBL16656668 0.98 KISS1R (0.31) KISS1RMMEACECPA1ACE2
SCHEMBL25602959 0.98 KISS1R (0.31) KISS1RMMEACECPA1ACE2
SCHEMBL19303597 0.98 KISS1R (0.31) KISS1RMMEACECPA1ACE2
SCHEMBL17209886 0.98 KISS1R (0.31) KISS1RMMEACECPA1ACE2
SCHEMBL25668291 0.86 XIAP (0.36) XIAP
SCHEMBL13402316 0.85 MME (0.34) MMEACECPA1ACE2XIAP
SCHEMBL14076482 0.83 XIAP (0.38) MMEACECPA1ACE2XIAP
SCHEMBL21153239 0.83 XIAP (0.38) MMEACECPA1ACE2XIAP
SCHEMBL13402108 0.83 XIAP (0.38) MMEACECPA1ACE2XIAP

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-2023078273-A1 SPECIFIC CONJUGATION FOR AN ANTIBODY-DRUG CONJUGATE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-11 WO disclosed