SCHEMBL29684563

SCHEMBL29684563

CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.51
▸ NPY1R P25929 9/20 0.51
▸ NPY5R Q15761 8/20 0.51
▸ NPY2R P49146 5/20 0.51
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ APLNR P35414 1/20 0.44
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44
▸ TUBB4B P68371 1/20 0.44
▸ TUBB3 Q13509 1/20 0.44
▸ TUBB2A Q13885 1/20 0.44
▸ TUBB8 Q3ZCM7 1/20 0.44
▸ TUBA3E Q6PEY2 1/20 0.44
▸ TUBA1A Q71U36 1/20 0.44
▸ TUBA1C Q9BQE3 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
SCHEMBL30543172 0.95 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RAPLNR
SCHEMBL29476637 0.94 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2RTUBB4A
SCHEMBL30612296 0.94 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2ROPRM1
SCHEMBL30605443 0.94 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2ROPRM1
SCHEMBL29476479 0.93 FNTA (0.49) NPY4RNPY1RNPY5RNPY2RAPLNR
SCHEMBL31064805 0.91 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2RAPLNR
SCHEMBL30605456 0.91 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RAPLNR
SCHEMBL30845345 0.91 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RTUBB4A
SCHEMBL29576266 0.91 KISS1R (0.51) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29519643 0.91 BACE1 (0.49) NPY4RNPY1RNPY5RNPY2RTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114657162-B Antioxidant pentapeptide with vascular endothelial cell protection function and application thereof 华南理工大学 2023-06-16 — — CN disclosed
CN-114657162-A Antioxidant pentapeptide with vascular endothelial cell protection function and application thereof 华南理工大学 2022-06-24 — — CN disclosed
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