SCHEMBL31415938

SCHEMBL31415938

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 6/20 0.51
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ ACE P12821 2/20 0.47
▸ IL1RN P18510 1/20 0.45
▸ ERAP2 Q6P179 1/20 0.45
▸ KISS1R Q969F8 4/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ FOLH1 Q04609 1/20 0.44

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
SCHEMBL30449279 0.92 BACE1 (0.51) BACE1
SCHEMBL31274737 0.91 MME (0.50) ACEOPRD1
SCHEMBL31307241 0.89 BACE1 (0.57) BACE1
SCHEMBL29531471 0.88 ACE (0.47) NPY1RNPY2RNPY4RACEOPRD1
SCHEMBL5699005 0.88 BACE1 (0.49) BACE1NPY1RNPY2RNPY4RACE
SCHEMBL5699001 0.88 BACE1 (0.49) BACE1NPY1RNPY2RNPY4RACE
SCHEMBL29705780 0.88 OPRD1 (0.54) NPY1RNPY2RNPY4RACEIL1RN
SCHEMBL30034864 0.88 NPY1R (0.53) NPY1RNPY2RNPY4RACEIL1RN
SCHEMBL31114994 0.86 NPY4R (0.44) NPY1RNPY2RNPY4RIL1RNERAP2
SCHEMBL30350938 0.86 KISS1R (0.57) BACE1NPY1RNPY2RNPY4RACE

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-2025002590-A1 TISSUE MHC CLASS I IMMUNOPEPTIDE PATTERN DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST NON-SMALL CELL LUNG CANCER (NSCLC), IDENTIFICATION AND ISOLATION OF NSCLC SPECIFIC T CELLS IN HUMANS UNIWERSYTET GDÁNSKI (PL) 2025-01-02 — — WO claimed
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