SCHEMBL30979201

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.57

▸	NPY4R	P50391	8/20	0.57

▸	NPY5R	Q15761	8/20	0.57

▸	NPY1R	P25929	6/20	0.57

▸	KDM1A	O60341	3/20	0.53

▸	CALCRL	Q16602	1/20	0.51

▸	MAOB	P27338	1/20	0.50

▸	KDM5A	P29375	1/20	0.50

▸	KDM1B	Q8NB78	1/20	0.50

▸	CALCR	P30988	2/20	0.49

▸	OPRM1	P35372	1/20	0.49

▸	OPRD1	P41143	1/20	0.49

▸	OPRK1	P41145	1/20	0.49

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
SCHEMBL29433923	0.85	IL23R (0.55)	KDM1AMAOBKDM5AKDM1BCALCR
SCHEMBL30432519	0.85	CALCR (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30966632	0.84	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30311225	0.83	KDM1A (0.63)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30903282	0.83	KDM1A (0.69)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30311410	0.83	KDM1A (0.57)	KDM1AMAOBKDM5AKDM1B
SCHEMBL29527003	0.82	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30311507	0.82	REN (0.58)	KDM1ACALCRL
SCHEMBL30974383	0.82	TFPI (0.55)	KDM1ACALCRL
SCHEMBL29430161	0.81	NPY2R (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR

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-118271390-A	Preparation method and application of spy catcher mutant	江苏贝奥泰克生物科技有限公司	2024-07-02	—	—	CN	disclosed