SCHEMBL30712980

SCHEMBL30712980

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 6/20 0.69
▸ IL23R Q5VWK5 12/20 0.63
▸ CCKBR P32239 2/20 0.61
▸ CCKAR P32238 1/20 0.61
▸ OPRD1 P41143 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
SCHEMBL29722992 0.91 IL23R (0.66) GLP1RIL23RCCKBRCCKAROPRD1
SCHEMBL31000949 0.90 GLP1R (0.75) GLP1RCCKBR
SCHEMBL30906465 0.90 GLP1R (0.72) GLP1RIL23R
SCHEMBL30906516 0.90 GLP1R (0.72) GLP1RIL23R
SCHEMBL30712897 0.90 IL23R (0.59) GLP1RIL23RCCKBRCCKAROPRD1
SCHEMBL30906536 0.89 GLP1R (0.71) GLP1RIL23R
SCHEMBL30906378 0.89 CCKBR (0.67) GLP1RIL23RCCKBR
SCHEMBL30906493 0.89 GLP1R (0.70) GLP1RIL23RCCKBR
SCHEMBL30906486 0.88 GLP1R (0.70) GLP1RIL23RCCKBR
SCHEMBL29417283 0.88 GLP1R (0.66) GLP1RIL23R

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
US-20240003881-A1 SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-01-04 — — US disclosed
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