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SCHEMBL30209659

SCHEMBL30209659

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.43
▸ F2 P00734 4/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ NPY4R P50391 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ GLP1R P43220 2/20 0.40
▸ SCTR P47872 1/20 0.40
▸ VIPR2 P41587 3/20 0.40
▸ VIPR1 P32241 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ CTSD P07339 1/20 0.39

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
SCHEMBL30692338 0.91 NPY1R (0.41) NPY1RNPY2RNPY4RGLP1RSCTR
SCHEMBL30637762 0.91 NPY4R (0.45) BACE1NPY1RNPY2RNPY4ROPRK1
SCHEMBL30645280 0.91 OPRK1 (0.46) NPY1RNPY2RNPY4ROPRK1
SCHEMBL30904413 0.90 BACE1 (0.45) BACE1GLP1RSCTRVIPR2VIPR1
SCHEMBL31472846 0.90 ERAP2 (0.43) BACE1NPY1RNPY2RNPY4RMC4R
SCHEMBL31472847 0.90 ERAP2 (0.43) BACE1NPY1RNPY2RNPY4RMC4R
SCHEMBL30512594 0.89 BACE1 (0.51) BACE1NPY1RNPY2RNPY4RMC4R
SCHEMBL29381746 0.89 APLNR (0.41) F2NPY1RNPY2RNPY4RGLP1R
SCHEMBL31472853 0.89 NPY4R (0.47) BACE1NPY1RNPY2RNPY4ROPRK1
SCHEMBL30645273 0.89 NPY4R (0.47) NPY1RNPY2RNPY4ROPRK1

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-113563464-B Humanized high-neutralization-activity anti-novel coronavirus monoclonal antibody and application thereof 中国疾病预防控制中心性病艾滋病预防控制中心 2023-02-03 — — CN disclosed
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