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SCHEMBL29445553

SCHEMBL29445553

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.59
▸ KISS1R Q969F8 2/20 0.56
▸ NPY5R Q15761 7/20 0.55
▸ NPY4R P50391 7/20 0.55
▸ NPY1R P25929 6/20 0.55
▸ OPRM1 P35372 1/20 0.55
▸ OPRD1 P41143 1/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ NPY2R P49146 4/20 0.54
▸ KEAP1 Q14145 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL30419550 0.92 GLP1R (0.55) TFPIKEAP1
SCHEMBL29445552 0.92 GLP1R (0.55) TFPIKEAP1
SCHEMBL29973477 0.89 BACE1 (0.60) TFPIKEAP1
SCHEMBL31437676 0.89 NPY4R (0.60) TFPIKISS1RNPY5RNPY4RNPY1R
SCHEMBL31002895 0.87 NPY4R (0.54) KISS1RNPY5RNPY4RNPY1ROPRM1
SCHEMBL29743323 0.86 VIPR2 (0.58) TFPI
SCHEMBL24139823 0.86 OPRM1 (0.54) KISS1RNPY5RNPY4RNPY1ROPRM1
SCHEMBL31295719 0.86 TFPI (0.59) TFPIRXFP1
SCHEMBL31279687 0.85 NPY4R (0.60) KISS1RNPY5RNPY4RNPY1ROPRM1
SCHEMBL29871918 0.85 NPY4R (0.66) KISS1RNPY5RNPY4RNPY1ROPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112341522-B Antibacterial peptide and application thereof 海南大学 2023-06-23 — — CN claimed
CN-114106102-A Combined antibacterial peptide with antibacterial activity on streptococcus mutans and application thereof 海南大学 2022-03-01 — — CN claimed
CN-114106102-A Combined antibacterial peptide with antibacterial activity on streptococcus mutans and application thereof 海南大学 2022-03-01 — — CN disclosed
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