SCHEMBL30746744

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.58

▸	TFPI	P10646	1/20	0.57

▸	GLP1R	P43220	6/20	0.57

▸	SCTR	P47872	1/20	0.57

▸	F2	P00734	4/20	0.55

▸	CRHR1	P34998	1/20	0.53

▸	CRHR2	Q13324	1/20	0.53

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
SCHEMBL34460636	0.98	CALCR (0.59)	CALCRTFPIGLP1RSCTRF2
SCHEMBL31622472	0.95	CALCR (0.55)	CALCRTFPIGLP1RSCTRF2
SCHEMBL34460635	0.95	CALCR (0.55)	CALCRTFPIGLP1RSCTRF2
SCHEMBL30184285	0.94	F2 (0.51)	CALCRTFPIGLP1RSCTRF2
SCHEMBL31622473	0.93	CALCR (0.55)	CALCRTFPIGLP1RSCTRF2
SCHEMBL29798070	0.93	F2 (0.55)	CALCRTFPIGLP1RSCTRF2
SCHEMBL29849560	0.92	F2 (0.52)	CALCRTFPIGLP1RSCTRF2
SCHEMBL7628716	0.91	F2 (0.51)	CALCRTFPIGLP1RSCTRF2
SCHEMBL7628730	0.91	F2 (0.51)	CALCRTFPIGLP1RSCTRF2
SCHEMBL30184274	0.91	CALCR (0.52)	CALCRTFPIGLP1RSCTRF2

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-110339369-B	Improved process for preparing physiologically active polypeptide complexes	韩美科学株式会社	2024-01-23	—	—	CN	disclosed