SCHEMBL30887556

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CN)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.65

▸	GLP1R	P43220	2/20	0.60

▸	GCGR	P47871	1/20	0.60

▸	GIPR	P48546	1/20	0.60

▸	IL23R	Q5VWK5	5/20	0.60

▸	CCKBR	P32239	1/20	0.57

▸	RXFP1	Q9HBX9	1/20	0.56

▸	NR3C1	P04150	2/20	0.55

▸	VIPR1	P32241	1/20	0.55

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
SCHEMBL29949376	0.91	GLP1R (0.63)	TFPIGLP1RGCGRGIPRIL23R
SCHEMBL31517010	0.89	GLP1R (0.64)	TFPIGLP1RGCGRGIPRCCKBR
SCHEMBL30618037	0.88	TFPI (0.61)	TFPIGLP1RCCKBRVIPR1
SCHEMBL31182575	0.87	TFPI (0.63)	TFPIGLP1RGCGRGIPRCCKBR
SCHEMBL29701273	0.87	TFPI (0.74)	TFPIGLP1RGCGRGIPRIL23R
SCHEMBL29721606	0.87	TFPI (0.57)	TFPIGLP1RGCGRGIPRIL23R
SCHEMBL29640388	0.87	TFPI (0.65)	TFPIGLP1RGCGRGIPRCCKBR
SCHEMBL30658242	0.87	TFPI (0.66)	TFPIGLP1RGCGRGIPRCCKBR
SCHEMBL30431813	0.86	TFPI (0.65)	TFPIGLP1RGCGRGIPRIL23R
SCHEMBL29461387	0.86	TFPI (0.63)	TFPIGLP1RGCGRGIPRIL23R

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-117924471-A	Antibodies or antigen binding fragments that specifically bind E2 proteins and uses thereof	杭州傲锐生物医药科技有限公司	2024-04-26	—	—	CN	disclosed