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Sugi Predict / Compounds / SCHEMBL29416080

SCHEMBL29416080

SCHEMBL29416080

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 12/20 0.56
▸ VIPR1 P32241 4/20 0.56
▸ VIPR2 P41587 5/20 0.54
▸ PTH1R Q03431 1/20 0.53
▸ SCTR P47872 1/20 0.53
▸ TFPI P10646 1/20 0.52

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
SCHEMBL31183012 0.91 VIPR1 (0.62) GLP1RVIPR1VIPR2
SCHEMBL30567760 0.90 VIPR1 (0.67) GLP1RVIPR1VIPR2SCTR
SCHEMBL31182784 0.89 VIPR1 (0.62) GLP1RVIPR1VIPR2
SCHEMBL30432584 0.89 VIPR1 (0.63) GLP1RVIPR1VIPR2PTH1RSCTR
SCHEMBL31182665 0.89 VIPR1 (0.68) GLP1RVIPR1VIPR2
SCHEMBL30432103 0.89 VIPR1 (0.62) GLP1RVIPR1VIPR2PTH1RTFPI
SCHEMBL30168741 0.89 GLP1R (0.61) GLP1RPTH1RSCTRTFPI
SCHEMBL30168768 0.89 GLP1R (0.61) GLP1RPTH1RSCTRTFPI
SCHEMBL30168685 0.89 GLP1R (0.61) GLP1RPTH1RSCTRTFPI
SCHEMBL31182728 0.88 GLP1R (0.67) GLP1RVIPR1SCTR

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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