SCHEMBL31721056

SCHEMBL31721056

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.47
▸ ELANE P08246 10/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ REN P00797 2/20 0.42
▸ DPP3 Q9NY33 1/20 0.40
▸ CMA1 P23946 1/20 0.40

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
SCHEMBL29649750 0.92 XIAP (0.56) XIAPOPRM1REN
SCHEMBL29649761 0.91 OPRM1 (0.44) XIAPELANEOPRM1CMA1
SCHEMBL29566393 0.91 OPRM1 (0.44) XIAPELANEOPRM1CMA1
SCHEMBL29630789 0.89 DPP3 (0.46) XIAPELANERENDPP3
SCHEMBL30399541 0.88 REN (0.48) OPRM1RENDPP3
SCHEMBL31072130 0.87 REN (0.46) OPRM1REN
SCHEMBL29721111 0.87 XIAP (0.48) XIAPELANEOPRM1RENCMA1
SCHEMBL10864928 0.85 OPRM1 (0.43) OPRM1
SCHEMBL29776002 0.85 OPRM1 (0.51) OPRM1CMA1
SCHEMBL29591738 0.85 TRHR (0.46) OPRM1

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
US-20250339504-A1 CANCER VACCINE WITH USE OF COMMON CANCER ANTIGEN COCKTAIL, TCR/CAR-T CELL THERAPEUTIC, COMPANION DIAGNOSTIC METHOD, AND METHOD FOR DIAGNOSING RISK OF CANCER ONSET BY DETECTING CIRCULATING TUMOR CELLS NATIONAL CANCER CENTER (JP) 2025-11-06 — — US disclosed
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