SCHEMBL30495588

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.66

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.64

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	GLP1R	P43220	10/20	0.63

▸	CCKBR	P32239	1/20	0.62

▸	VIPR1	P32241	3/20	0.62

▸	PTH1R	Q03431	1/20	0.60

▸	VIPR2	P41587	3/20	0.59

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
SCHEMBL29750818	0.93	CALCR (0.66)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL29939655	0.93	GLP1R (0.70)	CALCRGLP1RCCKBRVIPR1
SCHEMBL25303269	0.93	CALCR (0.66)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL29836025	0.93	CALCR (0.66)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL719111	0.93	CALCR (0.66)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL29628018	0.93	CALCR (0.66)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30970990	0.93	GLP1R (0.71)	CALCRGLP1RCCKBRVIPR1VIPR2
SCHEMBL29939727	0.93	GLP1R (0.72)	CALCRGLP1RCCKBRVIPR1
SCHEMBL29410242	0.92	GLP1R (0.64)	CALCRGLP1RCCKBR
SCHEMBL29628071	0.92	CALCR (0.66)	CALCRCRHR1CRHR2GLP1RCCKBR

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