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SCHEMBL30262218

SCHEMBL30262218

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.59
▸ KEAP1 Q14145 1/20 0.59
▸ RAMP3 O60896 9/20 0.59
▸ CALCR P30988 9/20 0.59
▸ GLP1R P43220 7/20 0.59
▸ GCGR P47871 7/20 0.59
▸ GIPR P48546 4/20 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
SCHEMBL31182958 0.92 GLP1R (0.66) C5AR1RAMP3CALCRGLP1RGCGR
SCHEMBL30262200 0.92 GLP1R (0.60) C5AR1CALCRGLP1RGCGRGIPR
SCHEMBL31182722 0.91 GLP1R (0.62) KEAP1CALCRGLP1RGCGRGIPR
SCHEMBL30859188 0.88 CALCR (0.63) C5AR1CALCRGLP1RGCGRGIPR
SCHEMBL31688333 0.88 APLNR (0.65) C5AR1RAMP3CALCRGLP1RGCGR
SCHEMBL30423484 0.87 GLP1R (0.60) KEAP1RAMP3CALCRGLP1RGCGR
SCHEMBL30576904 0.87 CALCR (0.64) KEAP1RAMP3CALCRGLP1RGCGR
SCHEMBL30511759 0.87 CALCR (0.66) C5AR1CALCRGLP1RGCGR
SCHEMBL30576961 0.87 RAMP3 (0.59) C5AR1RAMP3CALCR
SCHEMBL31182616 0.87 RAMP3 (0.63) RAMP3CALCRGLP1RGCGRGIPR

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-20230040544-A1 COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC) SAREPTA THERAPEUTICS, INC. 2023-02-09 — — US disclosed
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