SCHEMBL30093020

SCHEMBL30093020

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 2/20 0.56
▸ ERAP2 Q6P179 2/20 0.56
▸ GHSR Q92847 6/20 0.55
▸ KISS1R Q969F8 5/20 0.54
▸ NPY4R P50391 4/20 0.54
▸ NPY1R P25929 3/20 0.54
▸ NPY2R P49146 3/20 0.54
▸ NPY5R Q15761 2/20 0.54
▸ IL1RN P18510 1/20 0.52
▸ ERAP1 Q9NZ08 1/20 0.52

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
SCHEMBL30092942 0.96 NPBWR1 (0.57) NPBWR1ERAP2GHSRKISS1R
SCHEMBL31232571 0.95 KISS1R (0.59) ERAP2KISS1RNPY4RNPY1RNPY2R
SCHEMBL30893567 0.95 KISS1R (0.56) NPBWR1ERAP2GHSRKISS1RNPY4R
SCHEMBL30402141 0.95 NPBWR1 (0.58) NPBWR1ERAP2GHSRKISS1R
SCHEMBL29641046 0.95 GHSR (0.56) GHSRNPY4RNPY1RNPY2R
SCHEMBL30990571 0.95 GHSR (0.56) GHSRNPY4RNPY1RNPY2R
SCHEMBL29511112 0.95 GHSR (0.56) GHSRNPY4RNPY1RNPY2R
SCHEMBL31593359 0.94 GHSR (0.56) NPBWR1GHSRNPY4RNPY1RNPY2R
SCHEMBL29790169 0.94 GHSR (0.56) NPBWR1GHSRNPY4RNPY1RNPY2R
SCHEMBL29609768 0.94 GHSR (0.56) NPBWR1GHSRNPY4RNPY1RNPY2R

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-115397836-A Novel antibacterial peptide and application thereof 安尼根有限公司 2022-11-25 — — CN disclosed
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