SCHEMBL30093093

SCHEMBL30093093

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.54
▸ ECE1 P42892 9/20 0.53
▸ KISS1R Q969F8 2/20 0.52
▸ ERAP2 Q6P179 3/20 0.51
▸ ERAP1 Q9NZ08 2/20 0.50
▸ LNPEP Q9UIQ6 2/20 0.50
▸ PRMT1 Q99873 1/20 0.49
▸ MAGI3 Q5TCQ9 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
SCHEMBL30093028 1.00 ACE (0.54) ACEECE1KISS1RERAP2ERAP1
SCHEMBL30093067 1.00 ACE (0.54) ACEECE1KISS1RERAP2ERAP1
SCHEMBL30093056 1.00 ACE (0.54) ACEECE1KISS1RERAP2ERAP1
SCHEMBL30093062 1.00 ACE (0.54) ACEECE1KISS1RERAP2ERAP1
SCHEMBL30092933 1.00 ACE (0.54) ACEECE1KISS1RERAP2ERAP1
SCHEMBL30092955 1.00 ACE (0.54) ACEECE1KISS1RERAP2ERAP1
SCHEMBL30130537 0.98 KISS1R (0.54) ACEECE1KISS1RERAP2PRMT1
SCHEMBL30092900 0.98 KISS1R (0.54) ACEECE1KISS1RERAP2PRMT1
SCHEMBL30130551 0.98 KISS1R (0.54) ACEECE1KISS1RERAP2PRMT1
SCHEMBL30130572 0.98 KISS1R (0.54) ACEECE1KISS1RERAP2PRMT1

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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