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Sugi Predict / Compounds / SCHEMBL873516

SCHEMBL873516

SCHEMBL873516

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)[C]=O

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 14/20 0.72
▸ GCGR P47871 9/20 0.72
▸ GIPR P48546 6/20 0.72
▸ KEAP1 Q14145 1/20 0.68
▸ CALCR P30988 3/20 0.66

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
SCHEMBL31087277 0.97 GLP1R (0.74) GLP1RGCGRGIPRKEAP1CALCR
SCHEMBL29922218 0.96 GLP1R (0.77) GLP1RGCGRGIPRKEAP1
SCHEMBL29922593 0.96 GLP1R (0.77) GLP1RGCGRGIPRKEAP1CALCR
SCHEMBL30331625 0.95 GLP1R (0.71) GLP1RGCGRGIPRKEAP1
SCHEMBL31454131 0.95 GLP1R (0.76) GLP1RGCGRGIPRKEAP1CALCR
SCHEMBL30422908 0.95 GLP1R (0.73) GLP1RGCGRGIPRKEAP1CALCR
SCHEMBL30423442 0.95 GLP1R (0.73) GLP1RGCGRGIPRKEAP1CALCR
SCHEMBL30423071 0.95 GLP1R (0.73) GLP1RGCGRGIPRKEAP1CALCR
SCHEMBL30422794 0.95 GLP1R (0.74) GLP1RGCGRGIPRKEAP1CALCR
SCHEMBL29498781 0.95 GLP1R (0.75) GLP1RGCGRGIPRKEAP1CALCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619198-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2013-07-31 — — EP disclosed
WO-2013055910-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-04-18 — — WO disclosed
EP-2556056-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2013-02-13 — — EP disclosed
WO-2012170702-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2012-12-13 — — WO disclosed
WO-2012145604-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2012-10-26 — — WO disclosed
WO-2012145603-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2012-10-26 — — WO disclosed
WO-2012145361-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2012-10-26 — — WO disclosed
WO-2012135570-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2012-10-04 — — WO disclosed
WO-2012040279-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2012-03-29 — — WO disclosed
WO-2011127051-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-13 — — WO disclosed
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