SCHEMBL30200105

SCHEMBL30200105

N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.52
▸ NPY1R P25929 3/20 0.52
▸ NPY2R P49146 3/20 0.52
▸ NPY4R P50391 3/20 0.52
▸ ERAP2 Q6P179 4/20 0.51
▸ ERAP1 Q9NZ08 3/20 0.51
▸ LNPEP Q9UIQ6 3/20 0.51
▸ GHSR Q92847 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MPO P05164 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ KISS1R Q969F8 1/20 0.49

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
SCHEMBL30085020 1.00 ACE (0.52) ACENPY1RNPY2RNPY4RERAP2
SCHEMBL29577026 1.00 ACE (0.52) ACENPY1RNPY2RNPY4RERAP2
SCHEMBL29799876 0.99 NPY1R (0.53) ACENPY1RNPY2RNPY4RERAP2
SCHEMBL29800113 0.99 NPY1R (0.53) ACENPY1RNPY2RNPY4RERAP2
SCHEMBL30148441 0.99 NPY1R (0.53) ACENPY1RNPY2RNPY4RERAP2
SCHEMBL30388977 0.99 NPY1R (0.53) ACENPY1RNPY2RNPY4RERAP2
SCHEMBL29732607 0.99 NPY1R (0.53) ACENPY1RNPY2RNPY4RERAP2
SCHEMBL30388776 0.99 NPY1R (0.53) ACENPY1RNPY2RNPY4RERAP2
SCHEMBL30389170 0.99 NPY1R (0.53) ACENPY1RNPY2RNPY4RERAP2
SCHEMBL30389284 0.99 NPY1R (0.53) ACENPY1RNPY2RNPY4RERAP2

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-110964086-B Integrin beta 3 receptor high-affinity polypeptide and application 南京大学 2023-03-24 — — CN disclosed
Send feedback