Sugi Predict

Sugi Predict / Compounds / SCHEMBL1618983

SCHEMBL1618983

SCHEMBL1618983

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)c1ccc(OCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 20/20 0.87

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
SCHEMBL1251302 1.00 GRPR (0.87) GRPR
SCHEMBL16301387 0.95 GRPR (0.86) GRPR
SCHEMBL1252274 0.94 GRPR (0.76) GRPR
SCHEMBL1252581 0.93 GRPR (0.86) GRPR
SCHEMBL1252416 0.93 GRPR (0.92) GRPR
SCHEMBL1618505 0.93 GRPR (0.92) GRPR
SCHEMBL16301406 0.93 GRPR (0.89) GRPR
SCHEMBL16301404 0.92 GRPR (0.92) GRPR
SCHEMBL1252292 0.92 GRPR (0.76) GRPR
SCHEMBL16301394 0.92 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7922998-B2 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy BRACCO IMAGING S.P.A. (IT) 2011-04-12 — — US disclosed