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Sugi Predict / Compounds / SCHEMBL29416201

SCHEMBL29416201

SCHEMBL29416201

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 9/20 0.64
▸ GLP1R P43220 2/20 0.60
▸ GCGR P47871 1/20 0.60
▸ GIPR P48546 1/20 0.60
▸ GRPR P30550 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.59
▸ IL23R Q5VWK5 2/20 0.58
▸ ECE1 P42892 1/20 0.57
▸ MUS81 Q96NY9 1/20 0.57
▸ KEAP1 Q14145 1/20 0.56
▸ NR3C1 P04150 1/20 0.56
▸ SLC2A1 P11166 2/20 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
SCHEMBL30906442 0.90 GLP1R (0.66) GLP1RGCGRGIPRIL23RECE1
SCHEMBL30906466 0.90 GLP1R (0.66) GLP1RGCGRGIPRIL23RECE1
SCHEMBL30648454 0.89 GLP1R (0.69) GLP1RGCGRGIPRIL23RECE1
SCHEMBL31000880 0.89 IL23R (0.68) PTH1RGLP1RGCGRGIPRGRPR
SCHEMBL31174225 0.88 PTH1R (0.66) PTH1RGLP1RGCGRGIPRRXFP1
SCHEMBL30726552 0.87 IL23R (0.65) GLP1RGCGRGIPRGRPRIL23R
SCHEMBL30658281 0.87 PTH1R (0.64) PTH1RGLP1RGCGRGIPRRXFP1
SCHEMBL30811926 0.87 NPBWR1 (0.61) PTH1RGLP1RGCGRGIPRRXFP1
SCHEMBL31182453 0.87 RXFP1 (0.65) PTH1RGLP1RGCGRGIPRGRPR
SCHEMBL30658210 0.86 GLP1R (0.65) PTH1RGLP1RGCGRGIPRIL23R

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 5 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
EP-4275688-A2 METHOD OF AMELIORATING OR PREVENTING THE WORSENING OR THE PROGRESSION OF SYMPTOMS OF BPH Nymox Corporation (BS) 2023-11-15 — — EP 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
CN-114099636-A Method of treating a condition requiring cell destruction or removal using peptides derived from neurofilament proteins 尼莫克斯制药公司 2022-03-01 — — CN disclosed
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