SCHEMBL13738361

C=CN/C=N\C1(C[C@@H](C=O)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=O)[C@H](CCCNC(=N)N)NC)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	11/20	0.48

▸	OPRK1	P41145	9/20	0.48

▸	EPHA2	P29317	3/20	0.43

▸	NMUR2	Q9GZQ4	1/20	0.42

▸	NMUR1	Q9HB89	1/20	0.42

▸	NPFFR1	Q9GZQ6	2/20	0.41

▸	NPFFR2	Q9Y5X5	2/20	0.41

▸	OPRD1	P41143	1/20	0.41

▸	C5AR1	P21730	1/20	0.41

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
SCHEMBL13740305	0.89	OPRM1 (0.49)	OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL13740011	0.87	OPRM1 (0.47)	OPRM1OPRK1NMUR2NMUR1NPFFR1
SCHEMBL13144377	0.79	OPRM1 (0.48)	OPRM1OPRK1NMUR2NMUR1OPRD1
SCHEMBL13145221	0.77	OPRM1 (0.48)	OPRM1OPRK1NMUR2NMUR1OPRD1
SCHEMBL13145229	0.77	OPRM1 (0.47)	OPRM1OPRK1NMUR2NMUR1OPRD1
SCHEMBL13738112	0.77	KISS1R (0.47)	C5AR1
SCHEMBL13739633	0.76	C5AR1 (0.50)	C5AR1
SCHEMBL13144634	0.76	C5AR1 (0.60)	C5AR1
SCHEMBL13740296	0.75	IL23R (0.49)	OPRM1OPRK1C5AR1
SCHEMBL13144883	0.74	OPRM1 (0.51)	OPRM1OPRK1NMUR2NMUR1NPFFR1

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