SCHEMBL30804669

SCHEMBL30804669

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

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VIPR2 P41587 5/20 0.48
VIPR1 P32241 3/20 0.48
BACE1 P56817 6/20 0.46
CTSD P07339 2/20 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
SCHEMBL30262128 0.93 VIPR2 (0.52) VIPR2VIPR1BACE1
SCHEMBL30183026 0.93 VIPR2 (0.55) VIPR2VIPR1BACE1
SCHEMBL29453350 0.92 VIPR2 (0.54) VIPR2VIPR1BACE1
SCHEMBL30183023 0.92 VIPR2 (0.51) VIPR2VIPR1BACE1
SCHEMBL30512750 0.92 GLP1R (0.46) VIPR2VIPR1BACE1
SCHEMBL29453337 0.91 VIPR2 (0.54) VIPR2VIPR1BACE1CTSD
SCHEMBL30183030 0.91 VIPR2 (0.54) VIPR2VIPR1BACE1
SCHEMBL29777785 0.90 VIPR2 (0.49) VIPR2VIPR1BACE1CTSD
SCHEMBL29988780 0.89 BACE1 (0.44) VIPR2BACE1CTSD
SCHEMBL30568069 0.89 NPY4R (0.44) VIPR2VIPR1BACE1CTSD

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-117467671-A Corn ear number regulation gene ZmEN1, expression product, excellent haplotype and application 河南农业大学 2024-01-30 CN disclosed