SCHEMBL31189255

SCHEMBL31189255

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)CCSSCCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 7/20 0.55
▸ NPY4R P50391 4/20 0.47
▸ NPY5R Q15761 4/20 0.47
▸ NPY1R P25929 3/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ APC P25054 1/20 0.46
▸ REN P00797 2/20 0.46
▸ OPRD1 P41143 4/20 0.46
▸ CCKAR P32238 3/20 0.46
▸ IL23R Q5VWK5 1/20 0.46

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
SCHEMBL31189254 0.85 CHRND (0.49) NPY4RNPY5RNPY1RNPY2R
SCHEMBL29467399 0.81 CHRND (0.53) —
SCHEMBL20653746 0.79 CTSL (0.67) CCKBRREN
SCHEMBL18072615 0.77 CTSL (0.61) CCKBRREN
SCHEMBL17073778 0.77 CTSL (0.64) CCKBRREN
SCHEMBL22117411 0.77 REN (0.59) CCKBRREN
SCHEMBL22117412 0.77 REN (0.59) CCKBRREN
SCHEMBL14598333 0.77 CTSS (0.57) CCKBR
SCHEMBL15788809 0.77 CHRND (0.59) NPY4RNPY5RNPY1RNPY2R
SCHEMBL17553458 0.76 PAX8 (0.52) CCKBRREN

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
CN-118903483-A Nuclide internal irradiation treatment sensitization medicine and preparation method thereof 华中科技大学同济医学院附属协和医院 2024-11-08 — — CN disclosed
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