SCHEMBL9058879

SCHEMBL9058879

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 17/20 0.68
▸ GLP1R P43220 1/20 0.64
▸ GCGR P47871 1/20 0.64
▸ GIPR P48546 1/20 0.64
▸ IL23R Q5VWK5 1/20 0.61
▸ RXFP1 Q9HBX9 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
SCHEMBL9058876 1.00 NPBWR1 (0.68) NPBWR1GLP1RGCGRGIPRIL23R
SCHEMBL29464016 0.94 NPBWR1 (0.73) NPBWR1
SCHEMBL30811926 0.92 NPBWR1 (0.61) NPBWR1GLP1RGCGRGIPRIL23R
SCHEMBL29791120 0.91 GLP1R (0.69) NPBWR1GLP1RGCGRGIPRIL23R
SCHEMBL30906442 0.90 GLP1R (0.66) GLP1RGCGRGIPRIL23R
SCHEMBL30906466 0.90 GLP1R (0.66) GLP1RGCGRGIPRIL23R
SCHEMBL30607377 0.89 IL23R (0.66) NPBWR1GLP1RGCGRGIPRIL23R
SCHEMBL29498759 0.89 TFPI (0.55) NPBWR1GLP1RGCGRGIPR
SCHEMBL29669568 0.89 NPBWR1 (0.66) NPBWR1GLP1RIL23RRXFP1
SCHEMBL28100981 0.88 RXFP1 (0.63) NPBWR1GLP1RGCGRGIPRIL23R

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-1996018646-A2 HEAT SHOCK PROTEIN PEPTIDES AND METHODS FOR MODULATING AUTOIMMUNE CENTRAL NERVOUS SYSTEM DISEASE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-06-20 — — WO disclosed
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