SCHEMBL12344759

CN/C(=C\N)C[C@H](NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(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)C(=O)NC(CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O

nearest known ligand 0.82

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	GRPR	P30550	20/20	0.82

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.

Compound	similarity	top predicted	shared targets
SCHEMBL1252165	0.90	GRPR (0.87)	GRPR
SCHEMBL1393352	0.90	GRPR (0.87)	GRPR
SCHEMBL12914321	0.89	GRPR (0.83)	GRPR
SCHEMBL1618509	0.86	GRPR (0.85)	GRPR
SCHEMBL1250077	0.86	GRPR (0.85)	GRPR
SCHEMBL1404316	0.85	GRPR (0.78)	GRPR
SCHEMBL1252581	0.84	GRPR (0.86)	GRPR
SCHEMBL1251604	0.81	GRPR (0.86)	GRPR
SCHEMBL1252405	0.81	GRPR (0.86)	GRPR
SCHEMBL1618733	0.81	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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2281580-A2	Labeled gastrin releasing peptides (GRP)	Bracco Imaging S.p.A (IT)	2011-02-09	—	—	EP	disclosed