SCHEMBL30026586

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

nearest known ligand 0.68

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.68

▸	F2	P00734	4/20	0.61

▸	C5AR1	P21730	2/20	0.60

▸	CRHR1	P34998	1/20	0.59

▸	CRHR2	Q13324	1/20	0.59

▸	HCRTR1	O43613	1/20	0.59

▸	HCRTR2	O43614	1/20	0.59

▸	NMBR	P28336	1/20	0.59

▸	GRPR	P30550	1/20	0.59

▸	CCKBR	P32239	2/20	0.58

▸	GLP1R	P43220	2/20	0.58

▸	TFPI	P10646	3/20	0.58

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
SCHEMBL30026643	0.95	CALCR (0.67)	CALCRF2C5AR1CRHR1CRHR2
SCHEMBL30432123	0.89	CALCR (0.68)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31182856	0.89	CALCR (0.75)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30233411	0.89	CALCR (0.63)	CALCRF2C5AR1CRHR1CRHR2
SCHEMBL30726594	0.88	CALCR (0.73)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31167611	0.88	CALCR (0.71)	CALCRF2C5AR1GLP1RTFPI
SCHEMBL30432534	0.88	CALCR (0.76)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31653878	0.87	CALCR (0.75)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30495663	0.87	F2 (0.71)	CALCRF2C5AR1CRHR1CRHR2
SCHEMBL30233337	0.87	CALCR (0.60)	CALCRF2C5AR1HCRTR1HCRTR2

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
CN-114014923-B	Scylla paramamosain antibacterial polypeptide Sp-LECin and application thereof	厦门大学	2022-11-01	—	—	CN	disclosed