SCHEMBL29568535

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

nearest known ligand 0.52

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	8/20	0.49

▸	ITGB3	P05106	1/20	0.46

▸	ITGAV	P06756	1/20	0.46

▸	CALCR	P30988	2/20	0.45

▸	F2	P00734	4/20	0.45

▸	C5AR1	P21730	1/20	0.43

▸	NMBR	P28336	1/20	0.43

▸	GRPR	P30550	1/20	0.43

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
SCHEMBL29568928	0.95	APLNR (0.44)	APLNRITGB3ITGAVCALCRF2
SCHEMBL29569494	0.94	APLNR (0.47)	APLNRITGB3ITGAVCALCRF2
SCHEMBL29568606	0.94	APLNR (0.53)	APLNRITGB3ITGAVC5AR1
SCHEMBL29569112	0.93	APLNR (0.43)	APLNRITGB3ITGAVCALCRF2
SCHEMBL29568697	0.93	APLNR (0.54)	APLNRCALCRF2C5AR1NMBR
SCHEMBL29569060	0.92	ITGB3 (0.48)	APLNRITGB3ITGAVF2C5AR1
SCHEMBL29568833	0.92	ITGB3 (0.48)	APLNRITGB3ITGAVF2C5AR1
SCHEMBL29569072	0.91	APLNR (0.54)	APLNRC5AR1
SCHEMBL29568564	0.91	APLNR (0.54)	APLNRC5AR1
SCHEMBL29568907	0.91	ITGB3 (0.46)	APLNRITGB3ITGAVCALCRF2

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