SCHEMBL30954812

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.59

▸	NPY4R	P50391	8/20	0.59

▸	NPY5R	Q15761	8/20	0.59

▸	NPY1R	P25929	6/20	0.59

▸	RAMP3	O60896	3/20	0.58

▸	CALCR	P30988	3/20	0.58

▸	CXCR4	P61073	3/20	0.58

▸	TFPI	P10646	6/20	0.57

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
SCHEMBL29724165	0.84	CXCR4 (0.60)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL29470818	0.83	NMUR2 (0.50)	CALCRCXCR4TFPI
SCHEMBL31467529	0.81	OPRM1 (0.62)	—
SCHEMBL29503471	0.81	TFPI (0.55)	RAMP3CALCRCXCR4TFPI
SCHEMBL30349954	0.81	TFPI (0.55)	RAMP3CALCRCXCR4TFPI
SCHEMBL30607374	0.80	CALCR (0.58)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30708891	0.80	REN (0.57)	RAMP3CALCR
SCHEMBL30753761	0.79	OPRD1 (0.61)	CALCR
SCHEMBL30233254	0.79	OPRD1 (0.61)	CALCR
SCHEMBL30233133	0.79	OPRM1 (0.53)	RAMP3CALCRCXCR4

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-118184744-A	Polypeptide molecule of targeted nerve type acetylcholine receptor and preparation method and application thereof	广西大学	2024-06-14	—	—	CN	disclosed