SCHEMBL30804687

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	17/20	0.66

▸	KEAP1	Q14145	1/20	0.61

▸	RXFP1	Q9HBX9	1/20	0.60

▸	CCKBR	P32239	1/20	0.60

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
Dermaseptin S1 SCHEMBL29388838	0.97	GLP1R (0.64)	GLP1RKEAP1RXFP1CCKBR
SCHEMBL30518506	0.92	GLP1R (0.74)	GLP1RCCKBR
SCHEMBL30358210	0.92	GLP1R (0.74)	GLP1RCCKBR
SCHEMBL30358209	0.92	GLP1R (0.74)	GLP1RCCKBR
SCHEMBL29385782	0.91	GLP1R (0.73)	GLP1RKEAP1CCKBR
SCHEMBL29352277	0.91	GLP1R (0.75)	GLP1RCCKBR
SCHEMBL31140017	0.91	GLP1R (0.77)	GLP1RCCKBR
SCHEMBL30376091	0.90	GLP1R (0.74)	GLP1RCCKBR
Teduglutide SCHEMBL29393085	0.90	GLP1R (0.73)	GLP1RCCKBR
SCHEMBL31182532	0.90	KEAP1 (0.62)	GLP1RKEAP1RXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-117643563-B	Antibacterial mite-killing cream and preparation method thereof	广州首漾医药生物科技有限公司	2024-03-29	—	—	CN	disclosed
CN-117643563-A	Antibacterial mite-killing cream and preparation method thereof	广州首漾医药生物科技有限公司	2024-03-05	—	—	CN	disclosed