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SCHEMBL30527889

SCHEMBL30527889

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.58
▸ GLP1R P43220 8/20 0.57
▸ CALCR P30988 3/20 0.57
▸ VIPR2 P41587 5/20 0.56
▸ VIPR1 P32241 4/20 0.55

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
SCHEMBL29416079 1.00 KEAP1 (0.58) KEAP1GLP1RCALCRVIPR2VIPR1
SCHEMBL30576930 0.90 KEAP1 (0.61) KEAP1GLP1RCALCRVIPR2
SCHEMBL30567789 0.89 GLP1R (0.65) KEAP1GLP1R
SCHEMBL30712777 0.89 GLP1R (0.57) GLP1RVIPR2VIPR1
SCHEMBL29649215 0.88 CALCR (0.64) GLP1RCALCRVIPR2VIPR1
SCHEMBL30576909 0.88 GLP1R (0.61) GLP1RVIPR1
SCHEMBL31182706 0.88 VIPR2 (0.56) KEAP1GLP1RCALCRVIPR2VIPR1
SCHEMBL31182789 0.88 GLP1R (0.60) KEAP1GLP1RVIPR2VIPR1
SCHEMBL30906417 0.88 GLP1R (0.60) GLP1RVIPR1
SCHEMBL31332028 0.87 VIPR2 (0.66) GLP1RCALCRVIPR2VIPR1

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-110381984-B Compositions and methods for improving sexual function 尼莫克斯股份有限公司 2023-11-28 — — CN disclosed
CN-116785403-A Neurofilament peptides for preventing or slowing the progression of prostate cancer 尼莫克斯股份有限公司 2023-09-22 — — CN disclosed
CN-109310732-B Neurofilament peptides for preventing or slowing the progression of prostate cancer 尼莫克斯股份有限公司 2023-07-21 — — CN disclosed
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