SCHEMBL13738112

CN[C@H](C(=O)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12)C1(CCNC(N)=O)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	5/20	0.47

▸	C5AR1	P21730	2/20	0.47

▸	CXCL8	P10145	6/20	0.46

▸	TACR1	P25103	2/20	0.43

▸	CCKBR	P32239	2/20	0.42

▸	DPP3	Q9NY33	1/20	0.42

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
SCHEMBL13739633	0.83	C5AR1 (0.50)	KISS1RC5AR1CXCL8
SCHEMBL13740296	0.82	IL23R (0.49)	KISS1RC5AR1CXCL8
SCHEMBL13144634	0.81	C5AR1 (0.60)	KISS1RC5AR1CXCL8
SCHEMBL13144373	0.81	CXCL8 (0.49)	KISS1RC5AR1CXCL8CCKBR
SCHEMBL29853539	0.80	C5AR1 (0.62)	KISS1RC5AR1CXCL8DPP3
SCHEMBL13740305	0.78	OPRM1 (0.49)	C5AR1
SCHEMBL23710222	0.78	DPP3 (0.58)	KISS1RTACR1CCKBRDPP3
SCHEMBL23700348	0.78	DPP3 (0.58)	KISS1RTACR1CCKBRDPP3
SCHEMBL31411096	0.78	C5AR1 (0.60)	KISS1RC5AR1CXCL8DPP3
SCHEMBL13144378	0.77	IL23R (0.53)	KISS1RC5AR1CXCL8

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-7579432-B2	Cyclic peptides as G-protein-coupled receptor antagonists	PROMICS PTY LIMITED (AU)	2009-08-25	—	—	US	disclosed