SCHEMBL12418526

SCHEMBL12418526

CSCC[C@H](NC(=O)C(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CC[C@H]1O[C@H]2CC3C(CCC4CC(NC(=O)CNC(=O)CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)CCC43C)C3CCC1C32C)C(C)C)C(N)=O

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRPR P30550 19/20 0.74

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
SCHEMBL16301388 1.00 GRPR (0.74) GRPR
SCHEMBL16330406 0.95 GRPR (0.75) GRPR
SCHEMBL16317541 0.91 GRPR (0.78) GRPR
SCHEMBL1251567 0.91 GRPR (0.89) GRPR
SCHEMBL1251587 0.91 GRPR (0.89) GRPR
SCHEMBL16328476 0.91 GRPR (0.64) GRPR
SCHEMBL16301384 0.91 GRPR (0.81) GRPR
SCHEMBL16351004 0.90 GRPR (0.77) GRPR
SCHEMBL16301392 0.90 GRPR (0.77) GRPR
SCHEMBL16317504 0.89 GRPR (0.89) 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-7989417-B2 Linkers for radiopharmaceutical compounds BRACCO IMAGING S.P.A. (IT) 2011-08-02 US disclosed