SCHEMBL29569062

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.65

▸	NTSR1	P30989	8/20	0.61

▸	NTSR2	O95665	7/20	0.61

▸	SORT1	Q99523	6/20	0.61

▸	APLNR	P35414	1/20	0.59

▸	REN	P00797	3/20	0.57

▸	OPRD1	P41143	3/20	0.57

▸	AGTR1	P30556	1/20	0.57

▸	AGTR2	P50052	1/20	0.57

▸	OPRM1	P35372	1/20	0.57

▸	OPRK1	P41145	1/20	0.57

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
SCHEMBL29569693	0.96	AGTR1 (0.62)	C5AR1NTSR1NTSR2SORT1APLNR
SCHEMBL9010599	0.94	AGTR1 (0.62)	C5AR1NTSR1NTSR2SORT1APLNR
SCHEMBL9010604	0.94	AGTR1 (0.62)	C5AR1NTSR1NTSR2SORT1APLNR
SCHEMBL29649735	0.94	AGTR1 (0.62)	C5AR1NTSR1NTSR2SORT1APLNR
SCHEMBL29569971	0.93	OPRD1 (0.63)	NTSR1NTSR2SORT1RENOPRD1
Acetic Acid SCHEMBL29619795	0.93	AGTR1 (0.61)	C5AR1NTSR1NTSR2SORT1APLNR
SCHEMBL29569380	0.93	REN (0.62)	C5AR1NTSR1NTSR2SORT1REN
SCHEMBL29568867	0.93	REN (0.62)	C5AR1NTSR1NTSR2SORT1REN
SCHEMBL29568664	0.93	REN (0.62)	C5AR1NTSR1NTSR2SORT1REN
SCHEMBL31544391	0.92	AGTR1 (0.62)	C5AR1NTSR1NTSR2SORT1APLNR

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