SCHEMBL30495724

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.66

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	GLP1R	P43220	6/20	0.62

▸	APLNR	P35414	2/20	0.60

▸	GCGR	P47871	5/20	0.59

▸	NPY2R	P49146	4/20	0.59

▸	NPY4R	P50391	4/20	0.59

▸	NPY5R	Q15761	4/20	0.59

▸	NPY1R	P25929	3/20	0.59

▸	GIPR	P48546	2/20	0.58

▸	KEAP1	Q14145	1/20	0.58

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
SCHEMBL31182501	0.93	CALCR (0.71)	CALCRCRHR1CRHR2GLP1RAPLNR
SCHEMBL31182808	0.92	CALCR (0.69)	CALCRCRHR1CRHR2GLP1RAPLNR
SCHEMBL30495828	0.92	CALCR (0.74)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31182701	0.92	CALCR (0.73)	CALCRCRHR1CRHR2GLP1RAPLNR
SCHEMBL30658233	0.92	CALCR (0.71)	CALCRCRHR1CRHR2GLP1RGCGR
Corticorelin Acetate SCHEMBL29357284	0.92	CRHR1 (0.72)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30884870	0.91	CALCR (0.75)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30432919	0.91	CALCR (0.64)	CALCRCRHR1CRHR2GLP1RAPLNR
SCHEMBL29949425	0.91	CALCR (0.67)	CALCRCRHR1CRHR2GLP1RNPY2R
SCHEMBL29949373	0.91	CALCR (0.70)	CALCRCRHR1CRHR2GLP1RAPLNR

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