SCHEMBL30211356

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	10/20	0.50

▸	NPY5R	Q15761	8/20	0.48

▸	NPY1R	P25929	8/20	0.48

▸	NPY2R	P49146	5/20	0.48

▸	OPRD1	P41143	5/20	0.47

▸	OPRM1	P35372	1/20	0.47

▸	OPRK1	P41145	1/20	0.47

▸	CCKBR	P32239	3/20	0.45

▸	CCKAR	P32238	3/20	0.45

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
SCHEMBL29472199	0.90	F2 (0.48)	OPRD1OPRM1CCKBRCCKAR
SCHEMBL30211355	0.90	NPY4R (0.52)	NPY4RNPY5RNPY1RNPY2ROPRD1
SCHEMBL29502186	0.90	NPY4R (0.52)	NPY4RNPY5RNPY1RNPY2ROPRD1
SCHEMBL30405659	0.88	NPY4R (0.53)	NPY4RNPY5RNPY1RNPY2ROPRD1
Laminin SCHEMBL2182807	0.88	OPRD1 (0.55)	NPY4RNPY5RNPY1RNPY2ROPRD1
Laminin SCHEMBL2182800	0.88	OPRD1 (0.55)	NPY4RNPY5RNPY1RNPY2ROPRD1
SCHEMBL29472194	0.88	CTSS (0.54)	OPRD1OPRM1CCKBRCCKAR
SCHEMBL30645707	0.85	CTSS (0.58)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL30512013	0.84	NPY4R (0.52)	NPY4RNPY5RNPY1RNPY2ROPRD1
SCHEMBL29896791	0.84	CTSS (0.51)	—

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-112010937-B	YIGSR modified pentacyclic piperazinedione and preparation and application thereof	首都医科大学（CN）	2023-01-13	—	—	CN	disclosed