SCHEMBL30495670

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

nearest known ligand 0.69

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.69

▸	CRHR1	P34998	1/20	0.66

▸	CRHR2	Q13324	1/20	0.66

▸	GLP1R	P43220	11/20	0.57

▸	GCGR	P47871	8/20	0.57

▸	CCKBR	P32239	2/20	0.57

▸	GIPR	P48546	5/20	0.56

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
SCHEMBL31182543	0.89	CALCR (0.79)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30658343	0.88	CALCR (0.81)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL29767110	0.88	CALCR (0.82)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL31419713	0.88	CALCR (0.73)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30658230	0.88	CALCR (0.79)	CALCRCRHR1CRHR2
SCHEMBL30932076	0.87	CALCR (0.82)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30495614	0.87	CRHR1 (0.67)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL31182535	0.87	CALCR (0.72)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30431276	0.87	CALCR (0.64)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30358206	0.86	CALCR (0.70)	CALCRCRHR1CRHR2GLP1RGCGR

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