SCHEMBL16360107

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@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)CCCC(=O)NC(CN)(CN)NCCNC(N)(CN)CN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	GRPR	P30550	12/20	0.58

▸	NMBR	P28336	2/20	0.58

▸	ITGB3	P05106	1/20	0.53

▸	ITGAV	P06756	1/20	0.53

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
SCHEMBL19372503	0.91	GRPR (0.59)	GRPRNMBRITGB3ITGAV
SCHEMBL30783571	0.90	GRPR (0.65)	GRPRNMBR
Bombesin SCHEMBL29364598	0.89	GRPR (0.66)	GRPRNMBRITGB3ITGAV
SCHEMBL19365036	0.88	GRPR (0.57)	GRPRNMBRITGB3ITGAV
Bombesin SCHEMBL29353003	0.87	GRPR (0.70)	GRPRNMBR
SCHEMBL21186302	0.87	GRPR (0.56)	GRPRNMBRITGB3ITGAV
SCHEMBL19372498	0.87	GRPR (0.56)	GRPRNMBRITGB3ITGAV
SCHEMBL19372502	0.86	GRPR (0.56)	GRPRNMBRITGB3ITGAV
SCHEMBL18265511	0.86	GRPR (0.56)	GRPRNMBRITGB3ITGAV
SCHEMBL31738529	0.86	GRPR (0.62)	GRPRNMBRITGB3ITGAV

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
WO-2010063069-A1	NITROGEN-CONTAINING MACROCYCLIC CONJUGATES AS RADIOPHARMACEUTICALS	THE UNIVERSITY OF MELBOURNE (AU)	2010-06-10	—	—	WO	disclosed