SCHEMBL31065631

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cc2ccc(O)cc2oc1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	18/20	0.49

▸	NPY1R	P25929	11/20	0.49

▸	NPY5R	Q15761	10/20	0.49

▸	NPY2R	P49146	7/20	0.49

▸	AKR1B10	O60218	1/20	0.42

▸	AKR1A1	P14550	1/20	0.42

▸	AKR1B1	P15121	1/20	0.42

▸	CBR1	P16152	1/20	0.42

▸	AKR1C4	P17516	1/20	0.42

▸	AKR1C3	P42330	1/20	0.42

▸	AKR1C2	P52895	1/20	0.42

▸	AKR1C1	Q04828	1/20	0.42

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
SCHEMBL28566023	1.00	NPY4R (0.49)	NPY4RNPY1RNPY5RNPY2RAKR1B10
SCHEMBL28566021	1.00	NPY4R (0.49)	NPY4RNPY1RNPY5RNPY2RAKR1B10
SCHEMBL28554758	0.85	NPY4R (0.41)	NPY4RNPY1RNPY5RNPY2R
SCHEMBL28554759	0.85	NPY4R (0.41)	NPY4RNPY1RNPY5RNPY2R
SCHEMBL28555217	0.83	NPY4R (0.43)	NPY4RNPY1RNPY5RNPY2R
SCHEMBL28572083	0.79	NPY4R (0.39)	NPY4RNPY1RNPY5RNPY2R
SCHEMBL28572091	0.79	NPY4R (0.39)	NPY4RNPY1RNPY5RNPY2R
SCHEMBL31065620	0.76	ALB (0.52)	NPY4RNPY1RNPY5RNPY2R
SCHEMBL24049264	0.76	NPY4R (0.58)	NPY4RNPY1RNPY5RNPY2R
SCHEMBL31243265	0.76	NPY4R (0.53)	NPY4RNPY1RNPY5RNPY2R

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-112794878-B	Deubiquitinase activity probe and preparation and application thereof	中国科学院上海有机化学研究所	2024-08-16	—	—	CN	disclosed