SCHEMBL14845580

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C/C(N)=C/N)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)CC[C@@H](C)[C@H]1CCC2C3C(C[C@@H]4O[C@@]241)[C@@]1(C)CC[C@H](NC(=O)COCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1C[C@H]3O)C(C)C)C(N)=O

nearest known ligand 0.79

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	GRPR	P30550	20/20	0.79

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
SCHEMBL16314450	0.94	GRPR (0.80)	GRPR
SCHEMBL12419878	0.91	GRPR (0.87)	GRPR
SCHEMBL14959381	0.88	GRPR (0.79)	GRPR
SCHEMBL14403027	0.88	GRPR (0.88)	GRPR
SCHEMBL16342119	0.88	GRPR (0.86)	GRPR
SCHEMBL16317573	0.88	GRPR (0.90)	GRPR
SCHEMBL2292367	0.88	GRPR (0.90)	GRPR
SCHEMBL2292312	0.88	GRPR (0.90)	GRPR
SCHEMBL16301392	0.86	GRPR (0.77)	GRPR
SCHEMBL16351004	0.86	GRPR (0.77)	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
US-8414864-B2	Bombesin capable of complexing with metal ions, radionuclides, or optical labels; radiotherapy	BRACCO IMAGING S.P.A. (IT)	2013-04-09	—	—	US	disclosed