SCHEMBL30837494

SCHEMBL30837494

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 12/20 0.48
NPY1R P25929 9/20 0.48
NPY5R Q15761 8/20 0.48
NPY2R P49146 5/20 0.47
PTPN1 P18031 3/20 0.47
BACE1 P56817 3/20 0.46
EGFR P00533 1/20 0.44

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
SCHEMBL30570975 0.97 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2RPTPN1
SCHEMBL31157652 0.95 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL29679486 0.95 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL29679921 0.95 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL31461988 0.94 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL30007747 0.94 BACE1 (0.50) NPY4RNPY1RNPY5RNPY2RPTPN1
SCHEMBL30570967 0.94 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL30182730 0.93 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RPTPN1
SCHEMBL31009224 0.93 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2RPTPN1
SCHEMBL30525309 0.93 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RPTPN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117756889-A Poecilobdella manillensis anticoagulant polypeptide PEP WP And applications thereof 北京中医药大学 2024-03-26 CN claimed
CN-117756889-A Poecilobdella manillensis anticoagulant polypeptide PEP WP And applications thereof 北京中医药大学 2024-03-26 CN disclosed
CN-117756889-A Poecilobdella manillensis anticoagulant polypeptide PEP WP And applications thereof 北京中医药大学 2024-03-26 CN disclosed