SCHEMBL30792345

SCHEMBL30792345

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 2/20 0.56
▸ C5AR1 P21730 2/20 0.56
▸ OPRD1 P41143 2/20 0.55
▸ OPRM1 P35372 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ CXCR4 P61073 2/20 0.54
▸ KISS1R Q969F8 2/20 0.54
▸ NMBR P28336 2/20 0.54
▸ GRPR P30550 2/20 0.54
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ CXCL8 P10145 1/20 0.54
▸ ABCC2 Q92887 1/20 0.53
▸ GLP1R P43220 3/20 0.53
▸ GIPR P48546 3/20 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
SCHEMBL29993441 0.87 OPRM1 (0.59) GNRHRC5AR1OPRD1OPRM1CXCR4
SCHEMBL31688327 0.86 F2 (0.58) GNRHRCXCR4KISS1RNPY1RNPY2R
SCHEMBL30495749 0.85 NPY1R (0.63) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30883257 0.85 CXCL8 (0.62) GNRHRPTGS1CXCR4KISS1RNPY1R
SCHEMBL30906407 0.85 GLP1R (0.58) KISS1RGLP1RGIPR
Adegrapepimut-S SCHEMBL29502686 0.84 GLP1R (0.60) CXCR4CXCL8GLP1RGIPR
SCHEMBL30727456 0.84 SLC6A2 (0.60) OPRD1OPRM1
SCHEMBL30953538 0.84 DPP3 (0.62) C5AR1OPRD1OPRM1
SCHEMBL30883251 0.84 GLP1R (0.57) C5AR1OPRD1CXCR4NMBRGRPR
SCHEMBL30567694 0.83 C5AR1 (0.59) C5AR1CXCR4NPY1RNPY2RNPY4R

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-117659169-A Bovine colostrum immunoglobulin G peptide with ACE inhibitory activity and vascular endothelial dysfunction improving effect 华南理工大学 2024-03-08 — — CN disclosed
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