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Sugi Predict / Compounds / SCHEMBL30272003

SCHEMBL30272003

SCHEMBL30272003

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

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 4/20 0.71
▸ GLP1R P43220 11/20 0.66
▸ PTH1R Q03431 3/20 0.65
▸ ECE1 P42892 1/20 0.65
▸ MUS81 Q96NY9 1/20 0.65
▸ IL23R Q5VWK5 1/20 0.61
▸ NPBWR1 P48145 1/20 0.61

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
SCHEMBL30446094 0.97 RXFP1 (0.70) RXFP1GLP1RPTH1RECE1MUS81
SCHEMBL29462132 0.96 RXFP1 (0.70) RXFP1GLP1RPTH1RECE1MUS81
SCHEMBL30183270 0.96 RXFP1 (0.70) RXFP1GLP1RPTH1RECE1MUS81
SCHEMBL31453813 0.96 RXFP1 (0.70) RXFP1GLP1RPTH1RECE1MUS81
SCHEMBL30635326 0.96 RXFP1 (0.70) RXFP1GLP1RPTH1RECE1MUS81
SCHEMBL30271992 0.95 RXFP1 (0.68) RXFP1GLP1RPTH1RECE1MUS81
SCHEMBL30183209 0.95 RXFP1 (0.68) RXFP1GLP1RPTH1RECE1MUS81
SCHEMBL30874394 0.95 RXFP1 (0.67) RXFP1GLP1RPTH1RECE1MUS81
SCHEMBL31087271 0.94 RXFP1 (0.68) RXFP1GLP1RPTH1RECE1MUS81
SCHEMBL30271994 0.94 RXFP1 (0.68) RXFP1GLP1RPTH1RECE1MUS81

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4380962-A1 PROCESS FOR THE PREPARATION OF SEMAGLUTIDE MSN Laboratories Private Limited, R&D Center (IN) 2024-06-12 — — EP claimed
WO-2023012829-A1 PROCESS FOR THE PREPARATION OF SEMAGLUTIDE MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2023-02-09 — — WO claimed
EP-4380962-A1 PROCESS FOR THE PREPARATION OF SEMAGLUTIDE MSN Laboratories Private Limited, R&D Center (IN) 2024-06-12 — — EP disclosed
WO-2023012829-A1 PROCESS FOR THE PREPARATION OF SEMAGLUTIDE MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2023-02-09 — — WO disclosed