SCHEMBL30495808

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.80

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.65

▸	NPY4R	P50391	8/20	0.65

▸	NPY5R	Q15761	8/20	0.65

▸	NPY1R	P25929	6/20	0.65

▸	CALCR	P30988	3/20	0.65

▸	GLP1R	P43220	2/20	0.61

▸	EP300	Q09472	1/20	0.60

▸	HIF1A	Q16665	1/20	0.60

▸	TFPI	P10646	2/20	0.60

▸	CRHR1	P34998	1/20	0.59

▸	CRHR2	Q13324	1/20	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
SCHEMBL30435977	0.94	CALCR (0.69)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31105560	0.92	NPY2R (0.72)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658405	0.92	CALCR (0.69)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29805442	0.92	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29489266	0.91	TFPI (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607356	0.91	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578734	0.91	CALCR (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578729	0.91	CALCR (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578733	0.91	CALCR (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31020752	0.91	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR

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