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Sugi Predict / Compounds / SCHEMBL1773403

SCHEMBL1773403

SCHEMBL1773403

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 16/20 0.85
▸ GLP1R P43220 3/20 0.73
▸ CCKBR P32239 1/20 0.73
▸ ECE1 P42892 1/20 0.69
▸ MUS81 Q96NY9 1/20 0.69
▸ RXFP1 Q9HBX9 1/20 0.68

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
Teriparatide SCHEMBL29354459 0.97 PTH1R (0.91) PTH1RGLP1RCCKBRECE1MUS81
SCHEMBL28980015 0.97 PTH1R (0.91) PTH1RGLP1RCCKBRECE1MUS81
Teriparatide SCHEMBL720581 0.96 PTH1R (0.90) PTH1RGLP1RCCKBRECE1MUS81
Teriparatide SCHEMBL29357752 0.94 PTH1R (0.85) PTH1RGLP1RCCKBRECE1MUS81
SCHEMBL29357289 0.92 PTH1R (0.88) PTH1RGLP1RCCKBR
SCHEMBL29376455 0.91 PTH1R (0.81) PTH1RGLP1RCCKBRECE1MUS81
Teduglutide SCHEMBL29373256 0.91 GLP1R (0.82) PTH1RGLP1RCCKBRECE1MUS81
Teduglutide SCHEMBL20898050 0.91 GLP1R (0.82) PTH1RGLP1RCCKBRECE1MUS81
SCHEMBL29448236 0.91 PTH1R (0.75) PTH1RGLP1RCCKBRECE1MUS81
SCHEMBL29527049 0.91 PTH1R (0.72) PTH1RGLP1RCCKBRECE1MUS81

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
US-8470595-B2 Mesenchymal stem cell and method for production thereof NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-06-25 — — US disclosed
US-20110111499-A1 MESENCHYMAL STEM CELL AND METHOD FOR PRODUCTION THEREOF NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2011-05-12 — — US disclosed
WO-2009128533-A1 MESENCHYMAL STEM CELL AND METHOD FOR PRODUCTION THEREOF 国立大学法人名古屋大学 (JP) 2009-10-22 — — WO disclosed