SCHEMBL6387838

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H]([C]=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	AGTR1	P30556	2/20	0.49

▸	AGTR2	P50052	2/20	0.49

▸	NTSR2	O95665	12/20	0.49

▸	NTSR1	P30989	12/20	0.49

▸	SORT1	Q99523	11/20	0.49

▸	OPRD1	P41143	3/20	0.47

▸	REN	P00797	1/20	0.46

▸	CALCRL	Q16602	1/20	0.46

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
SCHEMBL6387835	1.00	AGTR1 (0.49)	AGTR1AGTR2NTSR2NTSR1SORT1
SCHEMBL28594198	0.98	NTSR2 (0.50)	AGTR1AGTR2NTSR2NTSR1SORT1
SCHEMBL29727282	0.86	NTSR2 (0.52)	AGTR1AGTR2NTSR2NTSR1SORT1
SCHEMBL27621106	0.84	LNPEP (0.50)	AGTR1AGTR2NTSR2NTSR1SORT1
SCHEMBL31362700	0.84	NTSR2 (0.51)	NTSR2NTSR1SORT1OPRD1CALCRL
SCHEMBL31191392	0.82	OPRD1 (0.52)	NTSR2NTSR1SORT1OPRD1
SCHEMBL31191386	0.82	MAPK8 (0.56)	NTSR2NTSR1SORT1OPRD1
SCHEMBL31191418	0.82	NMUR2 (0.56)	NTSR2NTSR1SORT1OPRD1
SCHEMBL30459251	0.79	REN (0.53)	AGTR1AGTR2NTSR2NTSR1SORT1
SCHEMBL31362702	0.79	MAPK8 (0.51)	AGTR1AGTR2NTSR2NTSR1SORT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1581555-A2	G-PROTEINS	Givaudan SA (CH)	2005-10-05	—	—	EP	disclosed
WO-2004055048-A2	CHIMERIC ALPHA Q-GUSTDUCIN G-PROTEINS	GIVAUDAN SA (CH)	2004-07-01	—	—	WO	disclosed