SCHEMBL29625336

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	XIAP	P98170	1/20	0.53

▸	NTSR2	O95665	14/20	0.51

▸	NTSR1	P30989	14/20	0.51

▸	SORT1	Q99523	11/20	0.50

▸	NPY1R	P25929	1/20	0.50

▸	NPY2R	P49146	1/20	0.50

▸	NPY4R	P50391	1/20	0.50

▸	NPY5R	Q15761	1/20	0.50

▸	REN	P00797	1/20	0.48

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
SCHEMBL29614726	0.93	NTSR2 (0.51)	XIAPNTSR2NTSR1SORT1NPY1R
SCHEMBL29664292	0.85	XIAP (0.50)	XIAPNTSR2NTSR1SORT1REN
SCHEMBL30723558	0.85	REN (0.61)	NTSR2NTSR1SORT1NPY1RNPY2R
SCHEMBL30335933	0.84	NTSR2 (0.47)	NTSR2NTSR1SORT1REN
SCHEMBL29576733	0.84	NTSR2 (0.51)	XIAPNTSR2NTSR1SORT1REN
SCHEMBL31409133	0.84	CAPN1 (0.53)	NTSR2NTSR1SORT1
SCHEMBL31337510	0.84	TGM2 (0.51)	XIAPNTSR2NTSR1SORT1REN
SCHEMBL31182446	0.83	NTSR1 (0.66)	NTSR2NTSR1SORT1
SCHEMBL29590984	0.83	NTSR2 (0.49)	NTSR2NTSR1SORT1REN
SCHEMBL31295889	0.82	NTSR1 (0.61)	NTSR2NTSR1SORT1

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-114414671-A	Research method for metabolic pathway of diabetes differential metabolites by using coreopsis bicolor	天津中医药大学	2022-04-29	—	—	CN	disclosed