SCHEMBL30571146

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	CALCR	P30988	5/20	0.59

▸	AGTR1	P30556	1/20	0.56

▸	AGTR2	P50052	1/20	0.56

▸	HCRTR1	O43613	1/20	0.54

▸	HCRTR2	O43614	1/20	0.54

▸	CCKBR	P32239	2/20	0.53

▸	GLP1R	P43220	2/20	0.53

▸	NTSR2	O95665	2/20	0.52

▸	NTSR1	P30989	2/20	0.52

▸	SORT1	Q99523	2/20	0.52

▸	F2	P00734	1/20	0.52

▸	RAMP1	O60894	1/20	0.52

▸	RAMP2	O60895	1/20	0.52

▸	RAMP3	O60896	1/20	0.52

▸	CALCRL	Q16602	1/20	0.52

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
SCHEMBL31462343	0.89	CALCR (0.59)	CRHR1CRHR2CALCRAGTR1AGTR2
SCHEMBL30428637	0.89	CALCR (0.66)	CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL29598630	0.87	CALCR (0.65)	CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL30571128	0.87	CALCRL (0.57)	AGTR1AGTR2NTSR2NTSR1SORT1
SCHEMBL31462340	0.87	CALCR (0.56)	CRHR1CRHR2CALCRAGTR1AGTR2
SCHEMBL30712915	0.86	CALCR (0.69)	CRHR1CRHR2CALCRAGTR1AGTR2
SCHEMBL31182562	0.86	CALCR (0.73)	CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL30254266	0.86	CALCR (0.64)	CRHR1CRHR2CALCRAGTR1AGTR2
SCHEMBL31462347	0.86	CALCR (0.56)	CRHR1CRHR2CALCRAGTR1AGTR2
SCHEMBL30423662	0.86	CALCR (0.62)	CRHR1CRHR2CALCRAGTR1AGTR2

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-20230263881-A1	Vaccine compositions for SARS-related coronaviruses and methods of use	ASCIONE RICHARD (US)	2023-08-24	—	—	US	disclosed