SCHEMBL29659738

SCHEMBL29659738

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 12/20 0.44
▸ NPY1R P25929 7/20 0.44
▸ NPY2R P49146 5/20 0.44
▸ NPY5R Q15761 5/20 0.44
▸ NMT2 O60551 1/20 0.42
▸ NMT1 P30419 1/20 0.42
▸ PTH1R Q03431 1/20 0.40

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
SCHEMBL30098797 0.88 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5RNMT2
SCHEMBL30811145 0.86 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5R
SCHEMBL32690565 0.86 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5R
SCHEMBL30571037 0.86 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5RNMT2
SCHEMBL29607972 0.85 NPY4R (0.52) NPY4RNPY1RNPY2RNPY5R
SCHEMBL25758758 0.84 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5R
SCHEMBL32690543 0.84 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RNMT2
SCHEMBL30811170 0.84 NMT1 (0.39) NPY4RNPY1RNPY2RNPY5RNMT2
SCHEMBL30974000 0.82 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29531435 0.82 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5R

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-109942714-B Functional polypeptide and application 中国药科大学 2022-07-08 — — CN disclosed
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