SCHEMBL31000889

SCHEMBL31000889

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 9/20 0.71
▸ CCKBR P32239 4/20 0.71
▸ CALCR P30988 4/20 0.69
▸ NPY1R P25929 1/20 0.63
▸ NPY2R P49146 1/20 0.63
▸ NPY4R P50391 1/20 0.63
▸ NPY5R Q15761 1/20 0.63
▸ NMBR P28336 1/20 0.63
▸ GRPR P30550 1/20 0.63
▸ CXCR4 P61073 3/20 0.63
▸ GCGR P47871 3/20 0.63
▸ HCRTR1 O43613 1/20 0.61
▸ HCRTR2 O43614 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
SCHEMBL31148884 0.93 CALCR (0.79) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29588523 0.93 CALCR (0.68) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29588160 0.92 CALCR (0.66) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL31182577 0.92 GLP1R (0.71) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29588702 0.92 CALCR (0.64) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29588042 0.91 CALCR (0.65) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30906500 0.90 NPY1R (0.66) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30540291 0.90 CALCR (0.61) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29587876 0.89 CALCR (0.65) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30026643 0.89 CALCR (0.67) GLP1RCCKBRCALCRNMBRGRPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630447-A2 ANTIBODIES OR FRAGMENTS THEREOF FOR SARS-COV-2 AND VARIANTS THEREOF Abwiz Bio, Inc. (US) 2025-10-15 — — EP disclosed
WO-2024124241-A2 ANTIBODIES OR FRAGMENTS THEREOF FOR SARS-COV-2 AND VARIANTS THEREOF ABWIZ BIO, INC. (US) 2024-06-13 — — WO disclosed
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