SCHEMBL30712979

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

nearest known ligand 0.57

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.53

▸	NPY2R	P49146	7/20	0.53

▸	NPY4R	P50391	7/20	0.53

▸	NPY5R	Q15761	7/20	0.53

▸	NPY1R	P25929	5/20	0.53

▸	F2	P00734	4/20	0.53

▸	EP300	Q09472	1/20	0.51

▸	HIF1A	Q16665	1/20	0.51

▸	CXCR4	P61073	1/20	0.49

▸	TFPI	P10646	1/20	0.49

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
SCHEMBL30432780	0.94	F2 (0.53)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29836328	0.90	NPY2R (0.64)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30199802	0.89	NPY2R (0.53)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182476	0.88	EP300 (0.53)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29867615	0.87	CALCR (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31462047	0.87	CALCR (0.49)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432870	0.87	NPY2R (0.59)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182579	0.87	CALCR (0.59)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31462080	0.86	CALCR (0.48)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182632	0.86	CALCR (0.56)	CALCRNPY2RNPY4RNPY5RNPY1R

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