SCHEMBL8814395

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O)C(C)C

nearest known ligand 0.75

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.71

▸	NPY4R	P50391	8/20	0.71

▸	NPY5R	Q15761	8/20	0.71

▸	NPY1R	P25929	6/20	0.71

▸	TFPI	P10646	4/20	0.68

▸	CALCR	P30988	5/20	0.65

▸	HCRTR1	O43613	1/20	0.63

▸	HCRTR2	O43614	1/20	0.63

▸	RAMP3	O60896	1/20	0.62

▸	EP300	Q09472	1/20	0.62

▸	HIF1A	Q16665	1/20	0.62

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
SCHEMBL8816036	0.94	CALCR (0.75)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182982	0.93	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29810268	0.93	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432502	0.93	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL9717732	0.92	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30906377	0.92	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30658265	0.92	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30906476	0.92	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30658298	0.92	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30578734	0.92	CALCR (0.73)	NPY2RNPY4RNPY5RNPY1RTFPI

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
WO-1997016550-A1	POLYPEPTIDE FRAGMENTS DERIVED FROM THE OBESE GENE PRODUCT	BRISTOL-MYERS SQUIBB COMPANY (US)	1997-05-09	—	—	WO	disclosed