SCHEMBL12123519

CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)Sc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.65

▸	APLNR	P35414	2/20	0.62

▸	CRHR1	P34998	1/20	0.61

▸	CRHR2	Q13324	1/20	0.61

▸	GLP1R	P43220	7/20	0.61

▸	KEAP1	Q14145	1/20	0.59

▸	RAMP1	O60894	1/20	0.59

▸	RAMP2	O60895	1/20	0.59

▸	RAMP3	O60896	1/20	0.59

▸	CALCRL	Q16602	1/20	0.59

▸	C5AR1	P21730	1/20	0.58

▸	GCGR	P47871	6/20	0.57

▸	GIPR	P48546	5/20	0.57

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
SCHEMBL30565138	0.92	CALCR (0.68)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL30565140	0.92	CALCR (0.68)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL30358206	0.91	CALCR (0.70)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL30358145	0.90	CALCR (0.68)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL31182551	0.90	CALCR (0.68)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL31745603	0.90	CALCR (0.72)	CALCRCRHR1CRHR2GLP1RKEAP1
SCHEMBL31182700	0.89	CALCR (0.68)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL31182500	0.89	CALCR (0.72)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL30658339	0.88	CALCR (0.73)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL30576904	0.88	CALCR (0.64)	CALCRCRHR1CRHR2GLP1RKEAP1

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
US-8058394-B2	Method for production of peptide thioester compound	OTSUKA CHEMICAL CO., LTD. (JP)	2011-11-15	—	—	US	disclosed