SCHEMBL30065622

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	12/20	0.69

▸	ECE1	P42892	1/20	0.69

▸	MUS81	Q96NY9	1/20	0.69

▸	PTH1R	Q03431	3/20	0.68

▸	IL23R	Q5VWK5	5/20	0.66

▸	CCKBR	P32239	1/20	0.64

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
SCHEMBL30065445	0.94	GLP1R (0.74)	GLP1RECE1MUS81
SCHEMBL29454666	0.93	GLP1R (0.75)	GLP1RECE1MUS81PTH1RCCKBR
SCHEMBL30874399	0.93	GLP1R (0.75)	GLP1RECE1MUS81CCKBR
SCHEMBL30780098	0.92	GLP1R (0.68)	GLP1RECE1MUS81PTH1RIL23R
SCHEMBL30567691	0.92	IL23R (0.70)	GLP1RECE1MUS81IL23R
SCHEMBL30883240	0.92	GLP1R (0.71)	GLP1RECE1MUS81IL23R
SCHEMBL31656511	0.91	IL23R (0.70)	GLP1RECE1MUS81PTH1RIL23R
SCHEMBL30262192	0.91	GLP1R (0.67)	GLP1RECE1MUS81PTH1RIL23R
SCHEMBL30601915	0.90	RXFP1 (0.69)	GLP1RECE1MUS81PTH1RCCKBR
SCHEMBL29693515	0.90	GLP1R (0.72)	GLP1RECE1MUS81PTH1RCCKBR

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-111471092-B	Spider polypeptide toxin with Nav1.9 specific activation effect and application thereof	湖南师范大学	2022-10-28	—	—	CN	disclosed