SCHEMBL31720934

SCHEMBL31720934

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 8/20 0.56
▸ MME P08473 1/20 0.56
▸ CPA1 P15085 1/20 0.56
▸ ACE2 Q9BYF1 1/20 0.56
▸ OPRM1 P35372 2/20 0.54
▸ OPRD1 P41143 2/20 0.54
▸ NPY4R P50391 4/20 0.53
▸ NPY1R P25929 3/20 0.53
▸ NPY2R P49146 3/20 0.53
▸ NTSR2 O95665 2/20 0.52
▸ NTSR1 P30989 2/20 0.52
▸ FOLH1 Q04609 1/20 0.51
▸ CTSD P07339 1/20 0.50
▸ NPY5R Q15761 2/20 0.48

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
SCHEMBL29521490 0.96 CTSD (0.54) ACEMMECPA1ACE2OPRM1
SCHEMBL29822653 0.92 ACE (0.59) ACEMMECPA1ACE2OPRM1
SCHEMBL30900774 0.92 NTSR2 (0.53) ACEMMECPA1ACE2OPRM1
SCHEMBL30900760 0.91 ACE (0.61) ACEMMECPA1ACE2NPY4R
SCHEMBL30051238 0.91 CTSD (0.58) ACEMMECPA1ACE2OPRM1
SCHEMBL29713848 0.91 ACE (0.58) ACEMMECPA1ACE2OPRM1
SCHEMBL30638818 0.90 ACE (0.55) ACEMMECPA1ACE2OPRM1
SCHEMBL31318683 0.90 ACE (0.57) ACEMMECPA1ACE2OPRM1
SCHEMBL30538854 0.90 OPRM1 (0.56) ACEOPRM1OPRD1NPY4RNPY1R
SCHEMBL30272520 0.89 OPRD1 (0.58) ACEMMECPA1ACE2OPRM1

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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