SCHEMBL17287128

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)C(CCCN/C(N)=N\[N+](=O)[O-])NC(=O)CN(C)C(=O)OCc1ccccc1)C(C)C)C(C)CC

nearest known ligand 0.49

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	AGTR1	P30556	4/20	0.49

▸	AGTR2	P50052	2/20	0.48

▸	F2	P00734	4/20	0.47

▸	C5AR1	P21730	2/20	0.46

▸	NTSR1	P30989	3/20	0.46

▸	CALCR	P30988	2/20	0.45

▸	APLNR	P35414	1/20	0.45

▸	NTSR2	O95665	1/20	0.44

▸	REN	P00797	1/20	0.44

▸	NMBR	P28336	1/20	0.44

▸	GRPR	P30550	1/20	0.44

▸	OPRD1	P41143	1/20	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
SCHEMBL17274210	1.00	AGTR1 (0.49)	AGTR1AGTR2F2C5AR1NTSR1
SCHEMBL17274223	1.00	AGTR1 (0.49)	AGTR1AGTR2F2C5AR1NTSR1
SCHEMBL18699989	0.97	AGTR1 (0.51)	AGTR1AGTR2F2C5AR1NTSR1
SCHEMBL17274190	0.94	C5AR1 (0.51)	AGTR1AGTR2F2C5AR1NTSR1
SCHEMBL17287126	0.94	C5AR1 (0.51)	AGTR1AGTR2F2C5AR1NTSR1
SCHEMBL19780604	0.90	C5AR1 (0.52)	AGTR1AGTR2F2C5AR1NTSR1
SCHEMBL19780600	0.90	C5AR1 (0.52)	AGTR1AGTR2F2C5AR1NTSR1
SCHEMBL17287131	0.90	AGTR1 (0.51)	AGTR1AGTR2F2C5AR1NTSR1
SCHEMBL19780927	0.89	OPRM1 (0.48)	F2C5AR1NMBRGRPROPRD1
SCHEMBL18699976	0.88	AGTR1 (0.55)	AGTR1AGTR2F2C5AR1NTSR1

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