SCHEMBL30712946

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	2/20	0.58

▸	CALCR	P30988	4/20	0.54

▸	F2	P00734	2/20	0.53

▸	AGTR2	P50052	3/20	0.52

▸	AGTR1	P30556	2/20	0.52

▸	EP300	Q09472	1/20	0.52

▸	HIF1A	Q16665	1/20	0.52

▸	SLC6A2	P23975	1/20	0.52

▸	NPY2R	P49146	5/20	0.51

▸	NPY4R	P50391	5/20	0.51

▸	NPY5R	Q15761	5/20	0.51

▸	NPY1R	P25929	3/20	0.51

▸	MAPK8	P45983	1/20	0.51

▸	MAPK9	P45984	1/20	0.51

▸	MAPK10	P53779	1/20	0.51

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
SCHEMBL30437023	0.88	CALCR (0.65)	CALCREP300HIF1ANPY2RNPY4R
SCHEMBL30495733	0.87	EP300 (0.66)	CALCRF2EP300HIF1ANPY2R
SCHEMBL30571123	0.87	CALCRL (0.61)	CALCRLAGTR2AGTR1SLC6A2MAPK8
SCHEMBL30495603	0.87	NPY2R (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30607370	0.87	CALCRL (0.56)	CALCRLCALCREP300HIF1ANPY2R
SCHEMBL30906521	0.86	CALCR (0.59)	CALCRLCALCRF2AGTR2AGTR1
SCHEMBL30607406	0.85	NPY2R (0.61)	CALCRLCALCRF2EP300HIF1A
SCHEMBL30607351	0.85	AGTR2 (0.59)	CALCRLAGTR2AGTR1SLC6A2NPY1R
SCHEMBL31233798	0.83	SLC6A2 (0.63)	CALCRLAGTR2AGTR1SLC6A2
SCHEMBL31233911	0.83	SLC6A2 (0.63)	CALCRLAGTR2AGTR1SLC6A2

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