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SCHEMBL30509261

SCHEMBL30509261

N=C(N)NCCC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.53
▸ NPY1R P25929 10/20 0.53
▸ NPY5R Q15761 9/20 0.53
▸ NPY2R P49146 6/20 0.53
▸ CCKBR P32239 2/20 0.48
▸ OPRD1 P41143 2/20 0.48
▸ CCKAR P32238 1/20 0.48
▸ QRFPR Q96P65 1/20 0.47
▸ IL23R Q5VWK5 1/20 0.46

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
SCHEMBL13107806 1.00 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RCCKBR
SCHEMBL29993069 1.00 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RCCKBR
SCHEMBL2790809 0.97 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RCCKBR
SCHEMBL2790810 0.97 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RCCKBR
SCHEMBL30495709 0.95 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RQRFPR
SCHEMBL29590830 0.94 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RQRFPR
SCHEMBL31019151 0.93 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RQRFPR
SCHEMBL29670860 0.93 QRFPR (0.57) NPY4RNPY1RNPY5RNPY2RCCKBR
SCHEMBL29794248 0.92 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RQRFPR
SCHEMBL30521958 0.91 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RIL23R

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-115317401-B Skin care composition and preparation method and application thereof 西安博鸿生物技术有限公司 2023-09-05 — — CN disclosed
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