SCHEMBL30495705

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.69

▸	CRHR1	P34998	1/20	0.62

▸	CRHR2	Q13324	1/20	0.62

▸	F2	P00734	4/20	0.61

▸	GLP1R	P43220	3/20	0.59

▸	CCKBR	P32239	2/20	0.59

▸	HCRTR1	O43613	1/20	0.58

▸	HCRTR2	O43614	1/20	0.58

▸	NPY2R	P49146	4/20	0.58

▸	NPY4R	P50391	4/20	0.58

▸	NPY5R	Q15761	4/20	0.58

▸	NPY1R	P25929	3/20	0.58

▸	TFPI	P10646	1/20	0.57

▸	GCGR	P47871	1/20	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
SCHEMBL29939733	0.92	CALCR (0.73)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL30862331	0.92	CALCR (0.65)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL30432400	0.92	CALCR (0.70)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL31683309	0.90	CALCR (0.65)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL31664366	0.90	CALCR (0.66)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL29903306	0.90	CALCR (0.66)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL31664360	0.89	CALCR (0.66)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL30437151	0.89	F2 (0.63)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL31182860	0.88	CALCR (0.77)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL30431912	0.88	CALCR (0.72)	CALCRCRHR1CRHR2F2GLP1R

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-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed