SCHEMBL30512652

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

nearest known ligand 0.53

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR2	O95665	4/20	0.45

▸	NTSR1	P30989	4/20	0.45

▸	MAPK8	P45983	1/20	0.45

▸	MAPK9	P45984	1/20	0.45

▸	MAPK10	P53779	1/20	0.45

▸	SORT1	Q99523	2/20	0.45

▸	NPY2R	P49146	4/20	0.43

▸	NPY4R	P50391	4/20	0.43

▸	NPY5R	Q15761	4/20	0.43

▸	NPY1R	P25929	3/20	0.43

▸	OPRM1	P35372	2/20	0.43

▸	OPRD1	P41143	2/20	0.43

▸	OPRK1	P41145	2/20	0.43

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
SCHEMBL29590352	0.89	BACE1 (0.46)	NTSR2NTSR1NPY2RNPY4RNPY5R
SCHEMBL31743444	0.85	CALCR (0.54)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30433468	0.85	CALCR (0.55)	NTSR2NTSR1MAPK8MAPK9MAPK10
SCHEMBL38659141	0.85	CALCRL (0.45)	NPY2RNPY4RNPY5ROPRM1OPRD1
SCHEMBL30495754	0.84	NPY2R (0.49)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL29630627	0.84	ACE (0.49)	NTSR2NTSR1SORT1NPY2RNPY4R
SCHEMBL8973445	0.84	CRHR1 (0.52)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL29885795	0.83	CAPN1 (0.46)	NTSR2NTSR1SORT1NPY2RNPY4R
SCHEMBL38659585	0.82	RAMP3 (0.46)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL38659138	0.82	RAMP3 (0.46)	NPY2RNPY4RNPY5RNPY1ROPRM1

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-116490215-A	Targeted mediated endocytic drug delivery	CRM医疗有限公司	2023-07-25	—	—	CN	disclosed