SCHEMBL29569693

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)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 0.62

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	AGTR1	P30556	1/20	0.62

▸	AGTR2	P50052	1/20	0.62

▸	C5AR1	P21730	2/20	0.62

▸	CALCR	P30988	4/20	0.58

▸	F2	P00734	4/20	0.58

▸	APLNR	P35414	1/20	0.58

▸	NTSR2	O95665	1/20	0.56

▸	NTSR1	P30989	1/20	0.56

▸	SORT1	Q99523	1/20	0.56

▸	OPRD1	P41143	2/20	0.56

▸	MC4R	P32245	1/20	0.56

▸	OPRM1	P35372	1/20	0.56

▸	OPRK1	P41145	1/20	0.56

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
SCHEMBL29569062	0.96	C5AR1 (0.65)	AGTR1AGTR2C5AR1APLNRNTSR2
SCHEMBL29359023	0.96	AGTR2 (0.66)	AGTR1AGTR2C5AR1CALCRF2
SCHEMBL31332156	0.95	AGTR2 (0.64)	AGTR1AGTR2C5AR1CALCRF2
SCHEMBL30445863	0.94	AGTR2 (0.69)	AGTR1AGTR2C5AR1F2APLNR
Angiotensin Ii SCHEMBL22125774	0.94	AGTR2 (0.69)	AGTR1AGTR2C5AR1F2APLNR
Angiotensin Ii SCHEMBL29757879	0.94	AGTR2 (0.69)	AGTR1AGTR2C5AR1F2APLNR
Angiotensin Ii SCHEMBL9013950	0.94	AGTR2 (0.69)	AGTR1AGTR2C5AR1F2APLNR
Angiotensin Ii SCHEMBL9013957	0.94	AGTR2 (0.69)	AGTR1AGTR2C5AR1F2APLNR
SCHEMBL24454648	0.94	AGTR2 (0.69)	AGTR1AGTR2C5AR1CALCRF2
SCHEMBL31544391	0.93	AGTR1 (0.62)	AGTR1AGTR2C5AR1CALCRF2

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