SCHEMBL30930558

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	8/20	0.70

▸	GCGR	P47871	8/20	0.70

▸	CALCR	P30988	4/20	0.69

▸	CRHR1	P34998	1/20	0.67

▸	CRHR2	Q13324	1/20	0.67

▸	GIPR	P48546	5/20	0.62

▸	NPY2R	P49146	5/20	0.62

▸	NPY4R	P50391	5/20	0.62

▸	NPY5R	Q15761	5/20	0.62

▸	NPY1R	P25929	4/20	0.62

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
SCHEMBL29413135	0.91	CALCR (0.76)	GLP1RGCGRCALCRCRHR1CRHR2
SCHEMBL29624204	0.91	CALCR (0.76)	GLP1RGCGRCALCRCRHR1CRHR2
SCHEMBL29767063	0.90	CALCR (0.79)	GLP1RGCGRCALCRCRHR1CRHR2
SCHEMBL30423615	0.90	CALCR (0.74)	GLP1RGCGRCALCRCRHR1CRHR2
SCHEMBL30432942	0.90	CALCR (0.68)	GLP1RGCGRCALCRCRHR1CRHR2
SCHEMBL30658211	0.90	CALCR (0.71)	GLP1RGCGRCALCRCRHR1CRHR2
SCHEMBL31068602	0.89	CALCR (0.73)	GLP1RGCGRCALCRCRHR1CRHR2
SCHEMBL31182502	0.89	CALCR (0.73)	GLP1RGCGRCALCRCRHR1CRHR2
SCHEMBL31182769	0.89	CALCR (0.65)	GLP1RGCGRCALCRCRHR1CRHR2
SCHEMBL30883230	0.88	RAMP3 (0.64)	GLP1RGCGRCALCRNPY2RNPY4R

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
WO-2024128831-A1	METHOD FOR PRODUCING NOVEL HYDROXY FATTY ACID	건국대학교 산학협력단	2024-06-20	—	—	WO	disclosed