SCHEMBL31303836

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

nearest known ligand 0.64

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.64

▸	APLNR	P35414	1/20	0.61

▸	C5AR1	P21730	1/20	0.59

▸	HCRTR1	O43613	1/20	0.59

▸	HCRTR2	O43614	1/20	0.59

▸	RAMP1	O60894	1/20	0.58

▸	RAMP2	O60895	1/20	0.58

▸	RAMP3	O60896	1/20	0.58

▸	CALCRL	Q16602	1/20	0.58

▸	CCKBR	P32239	2/20	0.58

▸	GLP1R	P43220	2/20	0.58

▸	NPY2R	P49146	5/20	0.57

▸	NPY4R	P50391	5/20	0.57

▸	NPY5R	Q15761	5/20	0.57

▸	NPY1R	P25929	4/20	0.57

▸	CRHR1	P34998	1/20	0.57

▸	CRHR2	Q13324	1/20	0.57

▸	F2	P00734	1/20	0.56

▸	TFPI	P10646	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
Lusupultide SCHEMBL29359370	0.89	CALCR (0.59)	CALCRAPLNRC5AR1F2
SCHEMBL30686820	0.89	CALCR (0.76)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL30686827	0.89	CALCR (0.76)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL29494575	0.89	CALCR (0.76)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL30598158	0.89	CALCR (0.70)	CALCRHCRTR1HCRTR2RAMP1RAMP2
SCHEMBL31683361	0.89	CALCR (0.60)	CALCRAPLNRC5AR1RAMP1RAMP2
SCHEMBL30598134	0.89	CALCR (0.71)	CALCRHCRTR1HCRTR2RAMP1RAMP2
SCHEMBL31182545	0.88	CALCR (0.75)	CALCRAPLNRCCKBRGLP1RNPY2R
SCHEMBL30063048	0.88	CALCR (0.75)	CALCRHCRTR1HCRTR2RAMP1RAMP2
SCHEMBL29522561	0.88	CALCR (0.69)	CALCRC5AR1GLP1RNPY2RNPY4R

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-118852381-A	Scylla paramamosain antibacterial polypeptide Sparadin118-140And applications thereof	厦门大学	2024-10-29	—	—	CN	disclosed