SCHEMBL29527003

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	10/20	0.63

▸	NPY4R	P50391	8/20	0.63

▸	NPY5R	Q15761	8/20	0.63

▸	NPY1R	P25929	8/20	0.63

▸	OPRM1	P35372	2/20	0.61

▸	OPRD1	P41143	2/20	0.61

▸	OPRK1	P41145	2/20	0.61

▸	TFPI	P10646	2/20	0.56

▸	CALCR	P30988	3/20	0.56

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
SCHEMBL29526542	0.95	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL29527389	0.95	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL29527250	0.94	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL29854535	0.94	NPY2R (0.60)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL29854880	0.94	NPY2R (0.60)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL29526878	0.92	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL29854740	0.89	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30429446	0.87	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL29854487	0.86	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL29479889	0.86	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR

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
EP-3983434-A1	APPETITE SUPPRESSING COMPOUNDS	IP2IPO Innovations Limited (GB)	2022-04-20	—	—	EP	disclosed