SCHEMBL18699899

CCC(C)[C@H](NC(=O)C(Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	AGTR1	P30556	4/20	0.56

▸	NTSR1	P30989	5/20	0.52

▸	C5AR1	P21730	2/20	0.52

▸	AGTR2	P50052	2/20	0.51

▸	NTSR2	O95665	1/20	0.51

▸	F2	P00734	4/20	0.50

▸	EPHA2	P29317	2/20	0.50

▸	APLNR	P35414	1/20	0.50

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
SCHEMBL18699898	1.00	AGTR1 (0.56)	AGTR1NTSR1C5AR1AGTR2NTSR2
SCHEMBL18699886	0.92	AGTR1 (0.55)	AGTR1NTSR1C5AR1AGTR2NTSR2
SCHEMBL18699976	0.92	AGTR1 (0.55)	AGTR1NTSR1C5AR1AGTR2NTSR2
Trv-120027 SCHEMBL11024001	0.90	AGTR1 (0.60)	AGTR1NTSR1C5AR1AGTR2NTSR2
Trv-120027 SCHEMBL11023969	0.90	AGTR1 (0.60)	AGTR1NTSR1C5AR1AGTR2NTSR2
Trv-120027 SCHEMBL19780884	0.90	AGTR1 (0.60)	AGTR1NTSR1C5AR1AGTR2NTSR2
Trv-120027 SCHEMBL17274209	0.90	AGTR1 (0.60)	AGTR1NTSR1C5AR1AGTR2NTSR2
Trv-120027 SCHEMBL17274208	0.90	AGTR1 (0.60)	AGTR1NTSR1C5AR1AGTR2NTSR2
SCHEMBL17287131	0.89	AGTR1 (0.51)	AGTR1NTSR1C5AR1AGTR2NTSR2
SCHEMBL11024198	0.89	AGTR1 (0.54)	AGTR1NTSR1C5AR1AGTR2NTSR2

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
US-9611293-B2	Synthesis of beta-arrestin effectors	TREVENA, INC. (US)	2017-04-04	—	—	US	disclosed