SCHEMBL30159031

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

nearest known ligand 0.57

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	5/20	0.57

▸	NMUR1	Q9HB89	5/20	0.57

▸	OPRD1	P41143	5/20	0.54

▸	OPRM1	P35372	4/20	0.54

▸	APLNR	P35414	1/20	0.52

▸	KEAP1	Q14145	1/20	0.51

▸	FCGRT	P55899	1/20	0.50

▸	CALCR	P30988	1/20	0.50

▸	NTSR1	P30989	1/20	0.50

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
SCHEMBL30158799	0.95	OPRM1 (0.59)	NMUR2NMUR1OPRD1OPRM1APLNR
SCHEMBL30158741	0.93	APLNR (0.54)	NMUR2NMUR1OPRD1OPRM1APLNR
SCHEMBL30785950	0.90	OPRM1 (0.57)	NMUR2NMUR1OPRD1OPRM1APLNR
SCHEMBL11289026	0.88	OPRD1 (0.58)	NMUR2NMUR1OPRD1OPRM1APLNR
SCHEMBL11289034	0.88	OPRD1 (0.58)	NMUR2NMUR1OPRD1OPRM1APLNR
SCHEMBL30736123	0.87	OPRM1 (0.58)	NMUR2NMUR1OPRD1OPRM1
SCHEMBL31135242	0.86	F2 (0.58)	NMUR2NMUR1OPRD1OPRM1APLNR
SCHEMBL30930551	0.85	CALCR (0.55)	NMUR2NMUR1OPRD1OPRM1APLNR
SCHEMBL30736199	0.84	OPRM1 (0.57)	NMUR2NMUR1OPRD1OPRM1
SCHEMBL31452902	0.84	CXCR4 (0.59)	KEAP1CALCR

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
CN-113292642-B	Third-generation epidermal growth factor receptor inhibitor drug-resistant mutation neoantigen and application thereof	倍而达药业（苏州）有限公司	2023-02-28	—	—	CN	disclosed