SCHEMBL30966632

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 9)

	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

▸	OPRM1	P35372	2/20	0.59

▸	OPRD1	P41143	2/20	0.59

▸	OPRK1	P41145	2/20	0.59

▸	CALCR	P30988	4/20	0.58

▸	TFPI	P10646	1/20	0.55

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
SCHEMBL31182993	0.89	OPRM1 (0.65)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30607489	0.89	OPRM1 (0.65)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL31000913	0.89	CALCR (0.66)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30726573	0.88	CALCR (0.62)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30073930	0.87	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30199068	0.87	CALCR (0.65)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL29438372	0.87	CALCR (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30974423	0.86	NTSR1 (0.58)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30262120	0.86	NTSR1 (0.59)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL30432729	0.86	NPY2R (0.64)	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-118272410-A	Preparation method of spy catcher mutant and application of spy catcher mutant in fluorescent protein model system	江苏贝奥泰克生物科技有限公司	2024-07-02	—	—	CN	disclosed