SCHEMBL30712927

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.59

▸	NPY4R	P50391	8/20	0.59

▸	NPY5R	Q15761	8/20	0.59

▸	NPY1R	P25929	6/20	0.59

▸	CALCR	P30988	4/20	0.59

▸	GLP1R	P43220	1/20	0.58

▸	GCGR	P47871	1/20	0.58

▸	GIPR	P48546	1/20	0.58

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	OPRD1	P41143	2/20	0.56

▸	AGTR2	P50052	1/20	0.54

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
SCHEMBL29679968	0.94	OPRD1 (0.56)	CALCRGLP1RGCGRGIPRCRHR1
SCHEMBL29679773	0.88	OPRD1 (0.64)	CALCRGLP1RGCGRGIPRCRHR1
SCHEMBL31182968	0.88	CALCR (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182956	0.87	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29679964	0.87	OPRD1 (0.64)	OPRD1
SCHEMBL30432480	0.87	CALCR (0.61)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607450	0.86	CALCR (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30320521	0.85	CALCR (0.60)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29679909	0.85	NPY2R (0.56)	NPY2RNPY4RNPY5RNPY1RAGTR2
SCHEMBL30607467	0.85	CALCR (0.64)	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-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed