SCHEMBL30495701

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

nearest known ligand 0.74

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	6/20	0.64

▸	TFPI	P10646	4/20	0.64

▸	KDM1A	O60341	2/20	0.61

▸	MAOB	P27338	1/20	0.61

▸	KDM5A	P29375	1/20	0.61

▸	KDM1B	Q8NB78	1/20	0.61

▸	EP300	Q09472	1/20	0.61

▸	HIF1A	Q16665	1/20	0.61

▸	NMUR2	Q9GZQ4	2/20	0.59

▸	NMUR1	Q9HB89	2/20	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
SCHEMBL31183026	0.95	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495683	0.93	TFPI (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29652676	0.92	TFPI (0.61)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31295731	0.92	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
Cathelicidin SCHEMBL29350781	0.92	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29588486	0.91	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182800	0.91	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30176416	0.91	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29679794	0.91	CXCR4 (0.61)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30262116	0.91	F2 (0.62)	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