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SCHEMBL30262197

SCHEMBL30262197

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ VIPR2 P41587 6/20 0.54
▸ VIPR1 P32241 4/20 0.54
▸ TFPI P10646 1/20 0.52
▸ BACE1 P56817 6/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ CTSD P07339 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
SCHEMBL38660457 0.93 BACE1 (0.52) VIPR2VIPR1TFPIBACE1CTSD
SCHEMBL30130347 0.93 BACE1 (0.52) VIPR2VIPR1TFPIBACE1CTSD
SCHEMBL29453337 0.92 VIPR2 (0.54) VIPR2VIPR1TFPIBACE1CTSD
SCHEMBL29679733 0.92 BACE1 (0.54) VIPR2VIPR1TFPIBACE1RXFP1
SCHEMBL38659416 0.92 BACE1 (0.54) VIPR2VIPR1TFPIBACE1RXFP1
SCHEMBL29453350 0.91 VIPR2 (0.54) VIPR2VIPR1TFPIBACE1
SCHEMBL29518464 0.91 VIPR2 (0.54) VIPR2VIPR1TFPIBACE1RXFP1
SCHEMBL29453356 0.90 VIPR2 (0.52) VIPR2VIPR1TFPIBACE1CTSD
SCHEMBL30808824 0.89 NPY4R (0.47) VIPR2VIPR1TFPI
SCHEMBL30512684 0.89 BACE1 (0.51) VIPR2VIPR1TFPIBACE1CTSD

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
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