SCHEMBL30158741

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)N[C@@H](CO)C(=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 0.54

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	3/20	0.54

▸	NMUR2	Q9GZQ4	3/20	0.54

▸	NMUR1	Q9HB89	3/20	0.54

▸	NTSR1	P30989	2/20	0.54

▸	OPRM1	P35372	1/20	0.49

▸	OPRD1	P41143	1/20	0.49

▸	GNRHR	P30968	1/20	0.48

▸	SLC6A2	P23975	1/20	0.48

▸	CXCL8	P10145	2/20	0.48

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
SCHEMBL30159031	0.93	NMUR2 (0.57)	APLNRNMUR2NMUR1NTSR1OPRM1
SCHEMBL30158799	0.92	OPRM1 (0.59)	APLNRNMUR2NMUR1NTSR1OPRM1
SCHEMBL29836800	0.90	SLC6A2 (0.56)	NMUR2NMUR1OPRM1OPRD1GNRHR
SCHEMBL30785950	0.87	OPRM1 (0.57)	APLNRNMUR2NMUR1NTSR1OPRM1
SCHEMBL30974363	0.86	NTSR1 (0.56)	NTSR1CXCL8
SCHEMBL30527820	0.85	SLC6A2 (0.58)	NMUR2NMUR1OPRM1OPRD1SLC6A2
SCHEMBL31433368	0.85	REN (0.52)	APLNRNMUR2NMUR1OPRM1OPRD1
SCHEMBL1674814	0.85	OPRM1 (0.55)	NTSR1OPRM1OPRD1SLC6A2
SCHEMBL1674810	0.85	OPRM1 (0.55)	NTSR1OPRM1OPRD1SLC6A2
SCHEMBL22400261	0.85	OPRM1 (0.55)	NTSR1OPRM1OPRD1SLC6A2

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