SCHEMBL30728124

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](N)Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	7/20	0.57

▸	NMUR1	Q9HB89	7/20	0.57

▸	OPRM1	P35372	4/20	0.57

▸	OPRD1	P41143	4/20	0.57

▸	IL23R	Q5VWK5	1/20	0.54

▸	CXCR4	P61073	1/20	0.52

▸	KISS1R	Q969F8	1/20	0.52

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
SCHEMBL29484754	0.99	OPRM1 (0.58)	NMUR2NMUR1OPRM1OPRD1IL23R
SCHEMBL29973256	0.97	NMUR2 (0.58)	NMUR2NMUR1OPRM1OPRD1IL23R
SCHEMBL29416537	0.96	OPRM1 (0.58)	NMUR2NMUR1OPRM1OPRD1IL23R
SCHEMBL30979614	0.96	OPRM1 (0.58)	NMUR2NMUR1OPRM1OPRD1IL23R
SCHEMBL17857883	0.94	NMUR2 (0.59)	NMUR2NMUR1OPRM1OPRD1IL23R
Acetic Acid SCHEMBL30979611	0.94	NMUR2 (0.58)	NMUR2NMUR1OPRM1OPRD1IL23R
SCHEMBL31473044	0.92	NMUR2 (0.58)	NMUR2NMUR1OPRM1OPRD1
SCHEMBL11782866	0.90	NMUR2 (0.57)	NMUR2NMUR1OPRM1OPRD1KISS1R
SCHEMBL11790746	0.90	NMUR2 (0.57)	NMUR2NMUR1OPRM1OPRD1KISS1R
SCHEMBL8193601	0.90	NMUR2 (0.60)	NMUR2NMUR1OPRM1OPRD1IL23R

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-20240066157-A1	Molecular imaging complex for positron emission tomography	SHUKLA JAYA (IN)	2024-02-29	—	—	US	claimed