SCHEMBL29815714

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.47

▸	NPY4R	P50391	12/20	0.46

▸	NPY5R	Q15761	8/20	0.46

▸	NPY1R	P25929	7/20	0.46

▸	NPY2R	P49146	5/20	0.46

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
SCHEMBL31267165	0.89	NPY4R (0.47)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL30782694	0.87	NPY4R (0.53)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL31097751	0.87	NPY4R (0.53)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL31344452	0.87	NPY4R (0.53)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL31097699	0.87	NPY4R (0.53)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL10337129	0.87	NPY4R (0.50)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL10337128	0.87	NPY4R (0.50)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL30317611	0.87	NPY4R (0.49)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL31519353	0.86	TFPI (0.47)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL30596211	0.86	NPY4R (0.46)	TFPINPY4RNPY5RNPY1RNPY2R

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-113373128-B	Epoxide hydrolase mutant with improved catalytic efficiency and preparation method thereof	深圳市微滴科技顾问有限公司	2022-09-16	—	—	CN	disclosed