SCHEMBL31721057

SCHEMBL31721057

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ BACE1 P56817 4/20 0.36
▸ FNTA P49354 4/20 0.34
▸ FNTB P49356 4/20 0.34

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
SCHEMBL30254145 0.98 OPRM1 (0.37) OPRM1OPRD1BACE1FNTAFNTB
SCHEMBL30567410 0.93 BACE1 (0.38) OPRM1OPRD1BACE1FNTAFNTB
SCHEMBL30254038 0.93 BACE1 (0.38) OPRM1OPRD1BACE1FNTAFNTB
SCHEMBL30974040 0.93 OPRM1 (0.42) OPRM1OPRD1
SCHEMBL8437182 0.92 MME (0.37) BACE1
SCHEMBL8437180 0.92 MME (0.37) BACE1
SCHEMBL30038651 0.92 OPRD1 (0.43) OPRD1BACE1
Water SCHEMBL29655489 0.91 MME (0.36) BACE1
SCHEMBL29531539 0.89 BACE1 (0.41) BACE1
SCHEMBL29430954 0.88 OPRD1 (0.35) OPRM1OPRD1BACE1

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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