SCHEMBL30712932

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.65

▸	CALCR	P30988	4/20	0.62

▸	CRHR1	P34998	1/20	0.61

▸	CRHR2	Q13324	1/20	0.61

▸	HCRTR1	O43613	1/20	0.57

▸	HCRTR2	O43614	1/20	0.57

▸	MC4R	P32245	1/20	0.57

▸	KDM1A	O60341	2/20	0.57

▸	NPY2R	P49146	3/20	0.55

▸	NPY4R	P50391	3/20	0.55

▸	NPY5R	Q15761	3/20	0.55

▸	NPY1R	P25929	2/20	0.55

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
SCHEMBL30176473	0.93	CALCR (0.64)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL29679847	0.93	F2 (0.63)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30607392	0.91	C5AR1 (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30176423	0.91	CALCR (0.68)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30431687	0.90	F2 (0.64)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL31182512	0.90	CALCR (0.64)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30209621	0.89	F2 (0.60)	F2CALCRMC4R
SCHEMBL30495663	0.89	F2 (0.71)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL31182699	0.89	CALCR (0.70)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30726629	0.88	F2 (0.63)	F2CALCRCRHR1CRHR2HCRTR1

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