SCHEMBL29698606

CC(C)C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	13/20	0.71

▸	NMUR1	Q9HB89	12/20	0.71

▸	OPRD1	P41143	3/20	0.65

▸	OPRK1	P41145	2/20	0.65

▸	OPRM1	P35372	1/20	0.65

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
SCHEMBL3539226	1.00	NMUR2 (0.71)	NMUR2NMUR1OPRD1OPRK1OPRM1
SCHEMBL29370026	1.00	NMUR2 (0.71)	NMUR2NMUR1OPRD1OPRK1OPRM1
SCHEMBL29604581	0.97	NMUR2 (0.77)	NMUR2NMUR1OPRD1OPRK1OPRM1
SCHEMBL29464559	0.89	NMUR2 (0.68)	NMUR2NMUR1
SCHEMBL29604784	0.89	OPRM1 (0.63)	NMUR2NMUR1OPRK1OPRM1
SCHEMBL29519178	0.89	NMUR2 (0.79)	NMUR2NMUR1OPRD1OPRK1OPRM1
SCHEMBL29679668	0.86	SLC6A2 (0.61)	NMUR2NMUR1OPRD1OPRK1OPRM1
SCHEMBL22620441	0.85	OPRK1 (0.61)	NMUR2NMUR1OPRD1OPRK1OPRM1
SCHEMBL29430579	0.85	NMUR2 (0.62)	NMUR2NMUR1
SCHEMBL29973451	0.85	NMUR2 (0.60)	NMUR2NMUR1OPRD1OPRK1OPRM1

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
EP-4010328-A1	5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS	Domain Therapeutics (FR)	2022-06-15	—	—	EP	disclosed