SCHEMBL13740296

CN[C@@H](CCCNC(=N)N)C(=O)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12)C1(C2CCCCC2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	1/20	0.49

▸	MC4R	P32245	4/20	0.47

▸	MC5R	P33032	2/20	0.47

▸	MC3R	P41968	2/20	0.47

▸	MC1R	Q01726	2/20	0.47

▸	CXCL8	P10145	6/20	0.47

▸	KISS1R	Q969F8	4/20	0.47

▸	C5AR1	P21730	1/20	0.47

▸	OPRM1	P35372	2/20	0.44

▸	OPRK1	P41145	2/20	0.44

▸	CTSL	P07711	2/20	0.44

▸	CTSS	P25774	2/20	0.44

▸	CTSK	P43235	2/20	0.44

▸	CTSH	P09668	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
SCHEMBL13739633	0.84	C5AR1 (0.50)	IL23RMC4RMC5RMC3RMC1R
SCHEMBL13144891	0.83	KISS1R (0.58)	IL23RMC4RMC5RMC3RMC1R
SCHEMBL13738112	0.82	KISS1R (0.47)	CXCL8KISS1RC5AR1
SCHEMBL13144634	0.81	C5AR1 (0.60)	IL23RMC4RMC5RMC3RMC1R
SCHEMBL13144545	0.81	MC4R (0.55)	IL23RMC4RMC5RMC3RMC1R
SCHEMBL13478177	0.81	MC4R (0.55)	IL23RMC4RMC5RMC3RMC1R
SCHEMBL13144542	0.81	IL23R (0.54)	IL23RMC4RMC5RMC3RMC1R
SCHEMBL13144540	0.80	MC4R (0.53)	IL23RMC4RMC5RMC3RMC1R
SCHEMBL13144638	0.80	MC4R (0.55)	IL23RMC4RKISS1RC5AR1
SCHEMBL13144378	0.80	IL23R (0.53)	IL23RMC4RMC5RMC3RMC1R

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