SCHEMBL30495645

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.73

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.68

▸	CRHR1	P34998	1/20	0.61

▸	CRHR2	Q13324	1/20	0.61

▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

▸	OPRD1	P41143	2/20	0.59

▸	NTSR1	P30989	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
SCHEMBL30658236	0.95	CALCR (0.70)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30692668	0.93	CALCR (0.62)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30607371	0.92	CALCR (0.64)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30432958	0.89	CALCR (0.65)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL38663746	0.89	CALCR (0.65)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11660133	0.89	CALCR (0.73)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30658389	0.89	CALCR (0.68)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182703	0.89	CALCR (0.65)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11660011	0.89	CALCR (0.72)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30435444	0.89	OPRD1 (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R

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