SCHEMBL30712880

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

nearest known ligand 0.62

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.61

▸	HCRTR1	O43613	1/20	0.58

▸	HCRTR2	O43614	1/20	0.58

▸	EP300	Q09472	1/20	0.57

▸	HIF1A	Q16665	1/20	0.57

▸	CRHR1	P34998	1/20	0.55

▸	CRHR2	Q13324	1/20	0.55

▸	NPY2R	P49146	7/20	0.54

▸	NPY4R	P50391	7/20	0.54

▸	NPY5R	Q15761	7/20	0.54

▸	NPY1R	P25929	5/20	0.54

▸	F2	P00734	3/20	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
SCHEMBL29679788	0.90	F2 (0.54)	CALCRHCRTR1HCRTR2F2
SCHEMBL31000946	0.90	CALCR (0.64)	CALCRHCRTR1HCRTR2EP300HIF1A
SCHEMBL30648485	0.90	CALCR (0.66)	CALCRHCRTR1HCRTR2EP300HIF1A
SCHEMBL30277935	0.90	CALCR (0.61)	CALCRHCRTR1HCRTR2EP300HIF1A
SCHEMBL30712939	0.90	EP300 (0.67)	CALCRHCRTR1HCRTR2EP300HIF1A
SCHEMBL30429242	0.89	CALCR (0.63)	CALCRHCRTR1HCRTR2EP300HIF1A
SCHEMBL30495733	0.89	EP300 (0.66)	CALCREP300HIF1ACRHR1CRHR2
SCHEMBL30906453	0.89	CALCR (0.61)	CALCRHCRTR1HCRTR2EP300HIF1A
SCHEMBL30658207	0.89	CALCR (0.73)	CALCRHCRTR1HCRTR2EP300HIF1A
SCHEMBL29706299	0.88	CALCR (0.57)	CALCRHCRTR1HCRTR2CRHR1CRHR2

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