SCHEMBL30887563

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.77

Predicted protein targets (top 9)

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

▸	NPY2R	P49146	8/20	0.65

▸	NPY4R	P50391	8/20	0.65

▸	NPY5R	Q15761	8/20	0.65

▸	NPY1R	P25929	6/20	0.65

▸	GLP1R	P43220	5/20	0.62

▸	EP300	Q09472	1/20	0.58

▸	HIF1A	Q16665	1/20	0.58

▸	GCGR	P47871	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
SCHEMBL30432190	0.92	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30999376	0.92	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578734	0.92	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578733	0.92	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578729	0.92	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432591	0.91	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29711789	0.91	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30218807	0.91	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495801	0.91	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31105560	0.90	NPY2R (0.72)	CALCRNPY2RNPY4RNPY5RNPY1R

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