SCHEMBL29496288

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C

nearest known ligand 0.74

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	9/20	0.74

▸	NPY4R	P50391	8/20	0.74

▸	NPY5R	Q15761	8/20	0.74

▸	NPY1R	P25929	7/20	0.74

▸	CALCR	P30988	5/20	0.71

▸	TFPI	P10646	2/20	0.66

▸	CRHR1	P34998	1/20	0.66

▸	CRHR2	Q13324	1/20	0.66

▸	RAMP1	O60894	1/20	0.64

▸	RAMP2	O60895	1/20	0.64

▸	RAMP3	O60896	1/20	0.64

▸	CALCRL	Q16602	1/20	0.64

▸	CCKBR	P32239	1/20	0.64

▸	GLP1R	P43220	1/20	0.64

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
SCHEMBL29496391	0.97	NPY2R (0.72)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL13248707	0.96	NPY2R (0.80)	NPY2RNPY4RNPY5RNPY1RCALCR
Human Neuropeptide Y SCHEMBL29523348	0.95	CALCR (0.72)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29397746	0.95	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29351932	0.94	CRHR1 (0.74)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29571016	0.94	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29526997	0.93	NPY2R (0.72)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30001037	0.93	CALCR (0.78)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30001479	0.93	CALCR (0.80)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29868686	0.92	NPY2R (0.68)	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
US-20220119772-A1	COMPOSITIONS AND METHODS FOR TREATMENT OF A MALABSORPTIVE DISORDER	CHILDRENS HOSPITAL MED CT (US)	2022-04-21	—	—	US	disclosed