SCHEMBL30435764

CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.66

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.66

▸	CRHR1	P34998	1/20	0.64

▸	CRHR2	Q13324	1/20	0.64

▸	HCRTR1	O43613	1/20	0.54

▸	HCRTR2	O43614	1/20	0.54

▸	GLP1R	P43220	6/20	0.54

▸	PTH1R	Q03431	2/20	0.54

▸	KEAP1	Q14145	1/20	0.54

▸	GCGR	P47871	5/20	0.54

▸	GIPR	P48546	5/20	0.54

▸	F2	P00734	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
SCHEMBL31168217	0.90	CALCR (0.65)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29949418	0.89	CALCR (0.64)	CALCRCRHR1CRHR2GLP1RPTH1R
SCHEMBL30436221	0.89	CALCR (0.67)	CALCRCRHR1CRHR2GLP1RPTH1R
SCHEMBL30658288	0.88	GLP1R (0.64)	CALCRCRHR1CRHR2GLP1RPTH1R
Magainin 2 SCHEMBL29357968	0.87	CALCR (0.63)	CALCRCRHR1CRHR2GLP1RPTH1R
SCHEMBL29633610	0.87	CALCR (0.63)	CALCRCRHR1CRHR2GLP1RPTH1R
SCHEMBL31182880	0.87	CALCR (0.67)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31182872	0.87	CALCR (0.73)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL6437072	0.87	CALCR (0.63)	CALCRPTH1RKEAP1
SCHEMBL31182785	0.86	MAPK8 (0.62)	CALCRGLP1RPTH1RKEAP1

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-20230167470-A1	METHOD AND STRAINS FOR REDUCING BYPRODUCT SUCCINIC ACID IN FERMENTATION PROCESS OF L-MALIC ACID AND USE THEREOF	Nanjing Haohe Biotechnology Co., Ltd. (CN)	2023-06-01	—	—	US	disclosed