Sugi Predict

Sugi Predict / Compounds / SCHEMBL29812751

SCHEMBL29812751

SCHEMBL29812751

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 14/20 0.63
▸ CCKBR P32239 2/20 0.63
▸ CXCR4 P61073 1/20 0.59
▸ GIPR P48546 7/20 0.59
▸ CALCR P30988 1/20 0.58
▸ NPY1R P25929 1/20 0.58
▸ NPY2R P49146 1/20 0.58
▸ NPY4R P50391 1/20 0.58
▸ NPY5R Q15761 1/20 0.58
▸ GCGR P47871 1/20 0.58

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
SCHEMBL29706258 0.98 GLP1R (0.63) GLP1RCCKBRCXCR4GIPRCALCR
SCHEMBL29812911 0.98 GLP1R (0.65) GLP1RCCKBRGIPRCALCRNPY1R
SCHEMBL29812880 0.97 GLP1R (0.67) GLP1RCCKBRGIPRCALCRNPY1R
SCHEMBL29706185 0.96 GLP1R (0.65) GLP1RCCKBRGIPRCALCRNPY1R
SCHEMBL29706235 0.96 NPY1R (0.62) GLP1RCCKBRCXCR4GIPRCALCR
SCHEMBL29706160 0.95 GLP1R (0.67) GLP1RCCKBRGIPRCALCRNPY1R
SCHEMBL29706428 0.95 NPY1R (0.62) GLP1RCCKBRCXCR4GIPRCALCR
SCHEMBL29812848 0.94 GLP1R (0.64) GLP1RCCKBRGIPRCALCRNPY1R
SCHEMBL29706132 0.94 GLP1R (0.66) GLP1RCCKBRGIPRNPY1RNPY2R
SCHEMBL29706356 0.94 GLP1R (0.65) GLP1RCCKBRCALCRNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022111713-A1 POLYPEPTIDE CONTAINING DISULFIDE BONDS AND CAPABLE OF INHIBITING ACTIVITY OF SERINE PROTEASE, DERIVED HYBRID PEPTIDE THEREOF, AND USE THEREOF 中国医学科学院药物研究所 2022-06-02 — — WO disclosed
Send feedback