SCHEMBL30536330

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.66

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.66

▸	F2	P00734	4/20	0.60

▸	HCRTR1	O43613	1/20	0.59

▸	HCRTR2	O43614	1/20	0.59

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	NPY2R	P49146	8/20	0.58

▸	NPY4R	P50391	8/20	0.58

▸	NPY5R	Q15761	8/20	0.58

▸	NPY1R	P25929	6/20	0.58

▸	C5AR1	P21730	1/20	0.56

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
SCHEMBL30844080	0.89	CALCR (0.67)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL29884239	0.89	CALCR (0.69)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL29942474	0.89	CALCR (0.68)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30567754	0.88	C5AR1 (0.65)	CALCRF2CRHR1CRHR2NPY2R
SCHEMBL29410250	0.87	CALCR (0.72)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30423662	0.87	CALCR (0.62)	CALCRF2CRHR1CRHR2C5AR1
SCHEMBL31182521	0.87	F2 (0.73)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30432496	0.87	CALCR (0.67)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL31000925	0.87	CALCR (0.76)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30607303	0.86	CALCR (0.69)	CALCRF2HCRTR1HCRTR2CRHR1

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-20230270838-A1	VACCINE COMPOSITIONS FOR INFLUENZA VIRUSES AND METHODS OF USE	ASCIONE RICHARD (US)	2023-08-31	—	—	US	disclosed