SCHEMBL29568786

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	3/20	0.48

▸	C5AR1	P21730	1/20	0.48

▸	CXCR4	P61073	5/20	0.48

▸	MC4R	P32245	1/20	0.47

▸	CTSL	P07711	3/20	0.46

▸	CTSS	P25774	3/20	0.46

▸	CTSK	P43235	3/20	0.46

▸	ITGB3	P05106	1/20	0.46

▸	ITGAV	P06756	1/20	0.46

▸	CTSH	P09668	1/20	0.45

▸	GLP1R	P43220	3/20	0.44

▸	GCGR	P47871	3/20	0.44

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
SCHEMBL29568401	0.97	C5AR1 (0.50)	APLNRC5AR1CXCR4MC4RCTSL
SCHEMBL29569083	0.97	C5AR1 (0.50)	APLNRC5AR1CXCR4MC4RCTSL
SCHEMBL29568907	0.95	ITGB3 (0.46)	APLNRC5AR1CXCR4ITGB3ITGAV
SCHEMBL29569026	0.93	APLNR (0.46)	APLNRMC4RCTSLCTSSCTSK
SCHEMBL29569452	0.92	C5AR1 (0.57)	APLNRC5AR1CXCR4MC4RCTSL
SCHEMBL29568606	0.91	APLNR (0.53)	APLNRC5AR1CXCR4ITGB3ITGAV
SCHEMBL29568777	0.91	APLNR (0.51)	APLNRC5AR1CXCR4MC4RCTSL
SCHEMBL29569678	0.90	APLNR (0.54)	APLNRC5AR1MC4RCTSLCTSS
SCHEMBL29568520	0.90	APLNR (0.54)	APLNRC5AR1MC4RCTSLCTSS
SCHEMBL29568618	0.90	APLNR (0.53)	APLNRC5AR1MC4RCTSLCTSS

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-3320923-B1	FLUORESCENT IMAGING AGENTS	VISEN MEDICAL INC (US)	2022-04-06	—	—	EP	disclosed