SCHEMBL30759423

SCHEMBL30759423

CN(OC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](CCCN)C(=O)N[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.42
▸ GPR132 Q9UNW8 5/20 0.41
▸ ACE P12821 2/20 0.40
▸ MME P08473 1/20 0.39
▸ CMKLR2 P46091 1/20 0.39
▸ CMKLR1 Q99788 1/20 0.39
▸ KISS1R Q969F8 1/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ LNPEP Q9UIQ6 1/20 0.39

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
SCHEMBL31754252 0.82 KISS1R (0.45) KISS1ROPRM1LNPEP
SCHEMBL30519203 0.79 MME (0.54) GPR132ACEMMECMKLR2CMKLR1
SCHEMBL31754347 0.79 SLC7A5 (0.49) GRIA1LNPEP
SCHEMBL30759465 0.79 LMNA (0.37) OPRM1LNPEP
SCHEMBL30759431 0.79 KLKB1 (0.36) GRIA1KISS1RLNPEP
SCHEMBL31754274 0.78 FOLH1 (0.48) GPR132MMECMKLR2CMKLR1
SCHEMBL30759471 0.77 KISS1R (0.42) KISS1ROPRM1LNPEP
SCHEMBL30019030 0.76 ERAP2 (0.48) GPR132KISS1RLNPEP
SCHEMBL29816805 0.75 KISS1R (0.52) GPR132ACEMMEKISS1ROPRM1
SCHEMBL30845376 0.75 NPY1R (0.56) ACEKISS1ROPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558513-A1 MACROCYCLIC PEPTIDES TARGETING KRAS Merck Sharp & Dohme LLC (US) 2025-05-28 — — EP disclosed
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 — — WO disclosed
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