SCHEMBL29802191

SCHEMBL29802191

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 3/20 0.47
▸ NTSR2 O95665 10/20 0.44
▸ NTSR1 P30989 10/20 0.44
▸ CALCRL Q16602 1/20 0.44
▸ REN P00797 1/20 0.44
▸ SORT1 Q99523 9/20 0.43
▸ XIAP P98170 1/20 0.42
▸ RAMP3 O60896 3/20 0.42
▸ CALCR P30988 3/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL31232524 0.92 CAPN1 (0.46) CAPN1NTSR2NTSR1CALCRLREN
SCHEMBL30612511 0.91 CAPN1 (0.54) CAPN1NTSR2NTSR1CALCRLSORT1
SCHEMBL30690935 0.87 KMT2A (0.48) CAPN1NTSR2NTSR1SORT1XIAP
SCHEMBL30401355 0.85 CALCRL (0.52) CAPN1NTSR2NTSR1CALCRLRAMP3
SCHEMBL29569025 0.84 NTSR2 (0.52) CAPN1NTSR2NTSR1RENSORT1
SCHEMBL31518645 0.84 KMT2A (0.45) CAPN1NTSR2NTSR1RENRAMP3
SCHEMBL30799598 0.84 CAPN1 (0.51) CAPN1NTSR2NTSR1CALCRLREN
SCHEMBL30311400 0.84 CALCRL (0.45) CAPN1NTSR2NTSR1CALCRLXIAP
SCHEMBL31140791 0.84 CALCRL (0.46) CALCRLRENRAMP3CALCR
SCHEMBL31518678 0.84 CAPN1 (0.45) CAPN1RENXIAPKMT2A

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-2022190064-A1 METHODS FOR IDENTIFYING SUBJECTS WITH BETACORONAVIRUS INFECTIONS WHO ARE AT RISK OF ACUTE RESPIRATORY SYNDROME AND METHODS FOR THE TREATMENT OF SAME VEXO PHARMACEUTICALS DMCC (AE) 2022-09-15 — — WO disclosed
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