SCHEMBL17287127

CCCCOC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)CC

nearest known ligand 0.51

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	3/20	0.51

▸	AGTR1	P30556	4/20	0.50

▸	AGTR2	P50052	2/20	0.47

▸	LNPEP	Q9UIQ6	3/20	0.45

▸	ANPEP	P15144	1/20	0.45

▸	NTSR2	O95665	5/20	0.44

▸	NTSR1	P30989	5/20	0.44

▸	CALCR	P30988	1/20	0.44

▸	SORT1	Q99523	4/20	0.43

▸	CMA1	P23946	1/20	0.43

▸	F2	P00734	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
SCHEMBL19780925	0.92	REN (0.56)	RENAGTR1AGTR2LNPEPANPEP
SCHEMBL17274225	0.92	REN (0.47)	RENAGTR1AGTR2LNPEPANPEP
SCHEMBL17274191	0.91	LNPEP (0.53)	AGTR1AGTR2LNPEPANPEPNTSR2
SCHEMBL18699907	0.84	REN (0.52)	RENAGTR1AGTR2LNPEPANPEP
SCHEMBL17287131	0.83	AGTR1 (0.51)	AGTR1AGTR2NTSR2NTSR1CALCR
SCHEMBL11204440	0.82	LNPEP (0.60)	AGTR1AGTR2LNPEPANPEPNTSR2
SCHEMBL11204436	0.82	LNPEP (0.60)	AGTR1AGTR2LNPEPANPEPNTSR2
SCHEMBL17274190	0.81	C5AR1 (0.51)	AGTR1AGTR2NTSR1CALCRF2
SCHEMBL17287126	0.81	C5AR1 (0.51)	AGTR1AGTR2NTSR1CALCRF2
SCHEMBL4757104	0.79	AGTR1 (0.57)	RENAGTR1AGTR2LNPEPANPEP

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-2015179349-A2	SYNTHESIS OF BETA-ARRESTIN EFFECTORS	TREVENA, INC. (US)	2015-11-26	—	—	WO	disclosed