SCHEMBL17226115

COCCOCCCNCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	11/20	0.58

▸	NMUR1	Q9HB89	10/20	0.58

▸	OPRM1	P35372	6/20	0.55

▸	OPRK1	P41145	6/20	0.55

▸	EPHA2	P29317	2/20	0.54

▸	KDM1A	O60341	1/20	0.54

▸	MAOB	P27338	1/20	0.54

▸	KDM5A	P29375	1/20	0.54

▸	KDM1B	Q8NB78	1/20	0.54

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
SCHEMBL17226129	0.97	NMUR2 (0.62)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL17226126	0.95	NMUR2 (0.62)	NMUR2NMUR1KDM1AMAOBKDM5A
SCHEMBL17226105	0.94	NMUR2 (0.59)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL17226113	0.94	NMUR2 (0.58)	NMUR2NMUR1EPHA2
SCHEMBL17226127	0.92	NMUR2 (0.57)	NMUR2NMUR1EPHA2KDM1AMAOB
SCHEMBL2628471	0.92	NMUR2 (0.57)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL17226106	0.91	NMUR2 (0.56)	NMUR2NMUR1
SCHEMBL17226130	0.90	NMUR2 (0.57)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL2628467	0.89	NMUR2 (0.55)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL2628464	0.89	NMUR2 (0.54)	NMUR2NMUR1EPHA2

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-9175037-B2	Neuromedin U derivative	TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP)	2015-11-03	—	—	US	disclosed