SCHEMBL8816036

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(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)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 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.75

▸	HCRTR1	O43613	1/20	0.70

▸	HCRTR2	O43614	1/20	0.70

▸	TFPI	P10646	2/20	0.69

▸	NPY2R	P49146	7/20	0.69

▸	NPY4R	P50391	7/20	0.69

▸	NPY5R	Q15761	7/20	0.69

▸	NPY1R	P25929	5/20	0.69

▸	F2	P00734	4/20	0.69

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
SCHEMBL29494575	0.95	CALCR (0.76)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL30686827	0.95	CALCR (0.76)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL30686820	0.95	CALCR (0.76)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL29593168	0.94	CALCR (0.79)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL29592959	0.94	CALCR (0.79)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL29593747	0.94	CALCR (0.81)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL8814395	0.94	NPY2R (0.71)	CALCRHCRTR1HCRTR2TFPINPY2R
SCHEMBL30063048	0.94	CALCR (0.75)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL31744322	0.94	CALCR (0.77)	CALCRHCRTR1HCRTR2TFPINPY2R
SCHEMBL29939723	0.94	CALCR (0.79)	CALCRHCRTR1HCRTR2NPY2RNPY4R

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