SCHEMBL29526878

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

nearest known ligand 0.70

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	9/20	0.63

▸	NPY4R	P50391	8/20	0.63

▸	NPY5R	Q15761	8/20	0.63

▸	NPY1R	P25929	7/20	0.63

▸	CALCR	P30988	3/20	0.62

▸	OPRM1	P35372	2/20	0.60

▸	OPRD1	P41143	2/20	0.60

▸	OPRK1	P41145	2/20	0.60

▸	CRHR1	P34998	1/20	0.59

▸	CRHR2	Q13324	1/20	0.59

▸	CXCL8	P10145	2/20	0.56

▸	TFPI	P10646	2/20	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
SCHEMBL29527250	0.98	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29854487	0.95	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29854740	0.93	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29527003	0.92	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29526542	0.90	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL29527389	0.90	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30567759	0.89	CALCR (0.72)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL11658979	0.88	CALCR (0.66)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182922	0.88	CALCR (0.71)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30439066	0.87	CALCR (0.66)	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