SCHEMBL17226129

COCCOCCCNCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)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(N)=O)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	17/20	0.62

▸	NMUR1	Q9HB89	16/20	0.62

▸	OPRM1	P35372	2/20	0.55

▸	OPRK1	P41145	2/20	0.55

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
SCHEMBL17226126	0.98	NMUR2 (0.62)	NMUR2NMUR1
SCHEMBL17226105	0.97	NMUR2 (0.59)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL17226115	0.97	NMUR2 (0.58)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL17226113	0.97	NMUR2 (0.58)	NMUR2NMUR1
SCHEMBL17226127	0.95	NMUR2 (0.57)	NMUR2NMUR1
SCHEMBL2628471	0.95	NMUR2 (0.57)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL17226106	0.94	NMUR2 (0.56)	NMUR2NMUR1
SCHEMBL17226130	0.93	NMUR2 (0.57)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL2628467	0.92	NMUR2 (0.55)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL2628464	0.92	NMUR2 (0.54)	NMUR2NMUR1

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