SCHEMBL30945402

SCHEMBL30945402

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 13/20 0.51
NPY1R P25929 7/20 0.51
NPY2R P49146 5/20 0.51
NPY5R Q15761 5/20 0.51
FURIN P09958 5/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29799968 1.00 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL30148421 1.00 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL30456493 1.00 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL29732487 0.95 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL1527410 0.95 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL30305367 0.95 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL30945400 0.95 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL1527412 0.95 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL30945410 0.95 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL30305294 0.95 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RFURIN

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-118265536-A Engineered antibacterial peptides and uses thereof 肽逻辑公司 2024-06-28 CN disclosed