SCHEMBL30400505

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.65

▸	NPY4R	P50391	8/20	0.65

▸	NPY5R	Q15761	8/20	0.65

▸	NPY1R	P25929	6/20	0.65

▸	NMUR2	Q9GZQ4	3/20	0.63

▸	NMUR1	Q9HB89	3/20	0.63

▸	EP300	Q09472	1/20	0.63

▸	HIF1A	Q16665	1/20	0.63

▸	MAPK8	P45983	1/20	0.62

▸	MAPK9	P45984	1/20	0.62

▸	MAPK10	P53779	1/20	0.62

▸	CALCR	P30988	3/20	0.62

▸	TFPI	P10646	2/20	0.62

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
SCHEMBL30648463	0.94	EP300 (0.64)	NPY2RNPY4RNPY5RNPY1RNMUR2
SCHEMBL31182445	0.92	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31182678	0.92	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30495766	0.92	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RNMUR2
SCHEMBL30495583	0.92	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30607334	0.91	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30436455	0.91	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30262046	0.91	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RNMUR2
SCHEMBL31182683	0.90	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30262211	0.90	MAPK8 (0.60)	NPY2RNPY4RNPY5RNPY1RNMUR2

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-116063408-A	Foot-and-mouth disease virus A type ELISA antibody detection kit and preparation method and application thereof	申联生物医药（上海）股份有限公司	2023-05-05	—	—	CN	disclosed