SCHEMBL30495757

CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.69

▸	NPY4R	P50391	8/20	0.69

▸	NPY5R	Q15761	8/20	0.69

▸	NPY1R	P25929	6/20	0.69

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	NMUR2	Q9GZQ4	3/20	0.59

▸	NMUR1	Q9HB89	3/20	0.59

▸	EP300	Q09472	1/20	0.59

▸	HIF1A	Q16665	1/20	0.59

▸	TFPI	P10646	2/20	0.59

▸	RAMP3	O60896	3/20	0.57

▸	CALCR	P30988	3/20	0.57

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
SCHEMBL31182959	0.90	MAPK8 (0.67)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30712935	0.89	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31255177	0.89	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30437173	0.88	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31182809	0.88	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29679864	0.88	MAPK8 (0.62)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30432392	0.88	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31182472	0.88	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30607289	0.87	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30310002	0.87	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RMAPK8

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