SCHEMBL13739633

CN[C@@H](CCCNC(=N)N)C(=O)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1F)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.50

▸	CXCR4	P61073	2/20	0.46

▸	IL23R	Q5VWK5	2/20	0.46

▸	CTSL	P07711	3/20	0.46

▸	CTSS	P25774	3/20	0.46

▸	CTSK	P43235	3/20	0.46

▸	CTSH	P09668	1/20	0.46

▸	MC4R	P32245	2/20	0.45

▸	MC5R	P33032	2/20	0.45

▸	MC3R	P41968	2/20	0.45

▸	MC1R	Q01726	2/20	0.45

▸	CXCL8	P10145	5/20	0.45

▸	KISS1R	Q969F8	4/20	0.45

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
SCHEMBL13478176	0.89	IL23R (0.47)	C5AR1CXCR4IL23RCTSLCTSS
SCHEMBL13144634	0.86	C5AR1 (0.60)	C5AR1IL23RCTSLCTSSCTSK
SCHEMBL29853539	0.84	C5AR1 (0.62)	C5AR1CXCR4IL23RMC4RMC5R
SCHEMBL13740296	0.84	IL23R (0.49)	C5AR1IL23RCTSLCTSSCTSK
SCHEMBL13738112	0.83	KISS1R (0.47)	C5AR1CXCL8KISS1R
SCHEMBL13144638	0.82	MC4R (0.55)	C5AR1IL23RMC4RKISS1R
SCHEMBL13144378	0.82	IL23R (0.53)	C5AR1IL23RMC4RMC5RMC3R
SCHEMBL31411096	0.81	C5AR1 (0.60)	C5AR1CXCR4IL23RMC4RMC5R
SCHEMBL13144891	0.81	KISS1R (0.58)	C5AR1IL23RCTSLCTSSCTSK
SCHEMBL29853326	0.80	C5AR1 (0.63)	C5AR1CXCR4IL23RMC4RMC5R

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