SCHEMBL30844091

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	11/20	0.63

▸	NPY1R	P25929	9/20	0.63

▸	NPY5R	Q15761	8/20	0.63

▸	TFPI	P10646	1/20	0.61

▸	NPY2R	P49146	5/20	0.60

▸	OPRD1	P41143	5/20	0.57

▸	CCKAR	P32238	3/20	0.57

▸	CCKBR	P32239	3/20	0.57

▸	OPRM1	P35372	1/20	0.57

▸	OPRK1	P41145	1/20	0.57

▸	BACE1	P56817	1/20	0.57

▸	BACE2	Q9Y5Z0	1/20	0.57

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
SCHEMBL31211751	0.92	TFPI (0.61)	NPY4RNPY1RNPY5RTFPINPY2R
SCHEMBL31141451	0.92	TFPI (0.65)	NPY4RNPY1RNPY5RTFPIOPRD1
SCHEMBL29960067	0.92	NPY4R (0.62)	NPY4RNPY1RNPY5RTFPINPY2R
SCHEMBL29958878	0.91	NPY4R (0.66)	NPY4RNPY1RNPY5RNPY2ROPRD1
Acetic Acid SCHEMBL30708944	0.91	NPY4R (0.65)	NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL1917250	0.91	OPRD1 (0.65)	NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL21483092	0.91	OPRD1 (0.65)	NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL21483091	0.91	OPRD1 (0.65)	NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL10785712	0.91	OPRD1 (0.65)	NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL29657682	0.91	OPRD1 (0.65)	NPY4RNPY1RNPY5RNPY2ROPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-117820469-A	anti-Slc 17a2 monoclonal antibody and application thereof	中国人民解放军空军军医大学	2024-04-05	—	—	CN	claimed
CN-117820469-A	anti-Slc 17a2 monoclonal antibody and application thereof	中国人民解放军空军军医大学	2024-04-05	—	—	CN	disclosed