SCHEMBL30092972

SCHEMBL30092972

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.52
▸ KISS1R Q969F8 6/20 0.51
▸ GHSR Q92847 1/20 0.49
▸ ERAP2 Q6P179 1/20 0.49
▸ MAGI3 Q5TCQ9 1/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ ECE1 P42892 3/20 0.49
▸ MC4R P32245 2/20 0.48
▸ SIRT5 Q9NXA8 1/20 0.48

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
SCHEMBL30725656 0.95 ACE (0.54) ACEECE1
SCHEMBL31165840 0.93 ACE (0.54) ACEKISS1RGHSRERAP2ECE1
SCHEMBL30093078 0.92 MAGI3 (0.56) ACEKISS1RGHSRERAP2MAGI3
SCHEMBL30725655 0.92 KISS1R (0.52) ACEKISS1RGHSRECE1MC4R
SCHEMBL30444033 0.91 ACE (0.54) ACEKISS1RGHSRERAP2MMP1
SCHEMBL31165849 0.91 ACE (0.56) ACEKISS1RGHSRERAP2ECE1
SCHEMBL30725660 0.91 IL23R (0.51) ACE
SCHEMBL30093012 0.90 MAGI3 (0.54) ACEKISS1RMAGI3ECE1
SCHEMBL30093068 0.90 MAGI3 (0.54) ACEKISS1RMAGI3ECE1
SCHEMBL30325341 0.90 GHSR (0.59) ACEKISS1RGHSRERAP2ECE1

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 claimed
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