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Sugi Predict / Compounds / SCHEMBL1404316

SCHEMBL1404316

SCHEMBL1404316

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COc1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 20/20 0.78

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
SCHEMBL1393352 0.94 GRPR (0.87) GRPR
SCHEMBL1252165 0.94 GRPR (0.87) GRPR
SCHEMBL1618509 0.89 GRPR (0.85) GRPR
SCHEMBL1250077 0.89 GRPR (0.85) GRPR
SCHEMBL1252581 0.88 GRPR (0.86) GRPR
SCHEMBL12344759 0.85 GRPR (0.82) GRPR
SCHEMBL4715687 0.85 GRPR (0.76) GRPR
SCHEMBL1251604 0.85 GRPR (0.86) GRPR
SCHEMBL1252405 0.85 GRPR (0.86) GRPR
SCHEMBL1618733 0.85 GRPR (0.86) GRPR

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-2291075-A2 GASTRIN RELEASING PEPTIDE COMPOUNDS Bracco Imaging S.p.A (IT) 2011-03-09 — — EP disclosed
WO-2009143101-A2 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2009-11-26 — — WO disclosed