SCHEMBL29679796

SCHEMBL29679796

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 2/20 0.62
▸ CTSB P07858 2/20 0.62
▸ CTSK P43235 2/20 0.62
▸ NPY1R P25929 3/20 0.61
▸ NPY2R P49146 3/20 0.61
▸ NPY4R P50391 3/20 0.61
▸ NPBWR1 P48145 6/20 0.60
▸ NTSR2 O95665 1/20 0.56
▸ NTSR1 P30989 1/20 0.56
▸ SORT1 Q99523 1/20 0.56
▸ EDNRA P25101 1/20 0.55
▸ CCNA2 P20248 2/20 0.55
▸ CDK2 P24941 2/20 0.55
▸ CCNA1 P78396 2/20 0.55
▸ KISS1R Q969F8 1/20 0.54
▸ ERAP2 Q6P179 1/20 0.54
▸ ERAP1 Q9NZ08 1/20 0.54
▸ LNPEP Q9UIQ6 1/20 0.54

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
SCHEMBL29589176 0.92 NPY1R (0.62) PCSK9CTSBCTSKNPY1RNPY2R
SCHEMBL30092974 0.92 EDNRA (0.61) PCSK9CTSBCTSKNPBWR1EDNRA
SCHEMBL30093006 0.91 EDNRA (0.61) PCSK9CTSBCTSKNPBWR1EDNRA
SCHEMBL29713412 0.90 GHSR (0.58) PCSK9CTSBCTSKNPY1RNPY2R
SCHEMBL31033142 0.90 GHSR (0.58) PCSK9CTSBCTSKNPY1RNPY2R
SCHEMBL30887369 0.90 CTSB (0.64) PCSK9CTSBCTSKNPY1RNPY2R
SCHEMBL30130581 0.90 EDNRA (0.59) PCSK9CTSBCTSKNPBWR1NTSR2
SCHEMBL29940975 0.88 EDNRA (0.64) PCSK9CTSBCTSKNPBWR1EDNRA
SCHEMBL29941186 0.88 EDNRA (0.64) PCSK9CTSBCTSKNPBWR1EDNRA
SCHEMBL29426680 0.88 NPY1R (0.68) NPY1RNPY2RNPY4RNTSR2NTSR1

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-114748684-A Antibacterial hydrogel wound dressing capable of efficiently promoting wound healing and preparation method thereof 厦门大学 2022-07-15 — — CN claimed
CN-114748684-B Antibacterial hydrogel wound dressing capable of efficiently promoting wound healing and preparation method thereof 厦门大学 2023-01-10 — — CN disclosed
CN-114748684-A Antibacterial hydrogel wound dressing capable of efficiently promoting wound healing and preparation method thereof 厦门大学 2022-07-15 — — CN disclosed
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