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SCHEMBL30262128

SCHEMBL30262128

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VIPR2 P41587 6/20 0.52
▸ VIPR1 P32241 5/20 0.52
▸ BACE1 P56817 3/20 0.49
▸ GLP1R P43220 1/20 0.47
▸ GCGR P47871 1/20 0.47
▸ GIPR P48546 1/20 0.47
▸ TFPI P10646 1/20 0.47
▸ KEAP1 Q14145 1/20 0.47

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
SCHEMBL29518464 0.95 VIPR2 (0.54) VIPR2VIPR1BACE1GLP1RGCGR
SCHEMBL29777785 0.94 VIPR2 (0.49) VIPR2VIPR1BACE1TFPIKEAP1
SCHEMBL30804669 0.93 VIPR2 (0.48) VIPR2VIPR1BACE1
SCHEMBL29453350 0.93 VIPR2 (0.54) VIPR2VIPR1BACE1TFPI
SCHEMBL29453337 0.92 VIPR2 (0.54) VIPR2VIPR1BACE1TFPI
SCHEMBL31344449 0.91 NPY4R (0.52) VIPR2VIPR1KEAP1
SCHEMBL31097750 0.91 NPY4R (0.52) VIPR2VIPR1KEAP1
SCHEMBL30140825 0.90 TFPI (0.52) VIPR2VIPR1TFPIKEAP1
SCHEMBL30183026 0.89 VIPR2 (0.55) VIPR2VIPR1BACE1
SCHEMBL31157652 0.89 NPY4R (0.49) BACE1

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-20230040544-A1 COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC) SAREPTA THERAPEUTICS, INC. 2023-02-09 — — US disclosed