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SCHEMBL30804686

SCHEMBL30804686

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)[C@@H](C)CC)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 5/20 0.58
▸ GLP1R P43220 2/20 0.57
▸ NPY2R P49146 3/20 0.57
▸ NPY4R P50391 3/20 0.57
▸ NPY5R Q15761 3/20 0.57
▸ NPY1R P25929 2/20 0.57
▸ PTH1R Q03431 5/20 0.56
▸ KEAP1 Q14145 1/20 0.56
▸ CRHR1 P34998 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56

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
Cecropin B SCHEMBL29355118 0.91 KEAP1 (0.69) GLP1RPTH1RKEAP1
SCHEMBL30432848 0.88 NPY2R (0.64) TFPIGLP1RNPY2RNPY4RNPY5R
SCHEMBL29391164 0.87 GLP1R (0.65) GLP1RNPY2RNPY4RNPY5RNPY1R
SCHEMBL29360287 0.86 NPY2R (0.71) TFPIGLP1RNPY2RNPY4RNPY5R
SCHEMBL30686756 0.86 CALCR (0.56) TFPIGLP1RNPY2RNPY4RNPY5R
SCHEMBL30887555 0.86 CALCR (0.66) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29922398 0.86 GLP1R (0.69) GLP1RPTH1RKEAP1
SCHEMBL30358175 0.86 CALCR (0.62) TFPIGLP1RNPY2RNPY4RNPY5R
SCHEMBL31182963 0.86 TFPI (0.68) TFPIGLP1RNPY2RNPY4RNPY5R
SCHEMBL30176436 0.86 NPY2R (0.68) TFPINPY2RNPY4RNPY5RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117643563-B Antibacterial mite-killing cream and preparation method thereof 广州首漾医药生物科技有限公司 2024-03-29 — — CN disclosed
CN-117643563-A Antibacterial mite-killing cream and preparation method thereof 广州首漾医药生物科技有限公司 2024-03-05 — — CN disclosed
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