SCHEMBL30495778

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

nearest known ligand 0.81

Predicted protein targets (top 12)

	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

▸	TFPI	P10646	4/20	0.69

▸	KDM1A	O60341	3/20	0.66

▸	MAOB	P27338	1/20	0.66

▸	KDM5A	P29375	1/20	0.66

▸	KDM1B	Q8NB78	1/20	0.66

▸	NMUR2	Q9GZQ4	3/20	0.65

▸	NMUR1	Q9HB89	3/20	0.65

▸	KEAP1	Q14145	1/20	0.65

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
SCHEMBL31182662	0.97	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
Cathelicidin SCHEMBL29350781	0.93	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30423064	0.93	KEAP1 (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29625798	0.93	TFPI (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31474428	0.93	RAMP3 (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495648	0.93	RAMP3 (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432021	0.93	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30429119	0.93	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29533414	0.93	TFPI (0.70)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182473	0.92	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RTFPI

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