SCHEMBL30495738

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

nearest known ligand 0.67

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	6/20	0.61

▸	TFPI	P10646	4/20	0.61

▸	KEAP1	Q14145	2/20	0.60

▸	MAPK8	P45983	1/20	0.58

▸	MAPK9	P45984	1/20	0.58

▸	MAPK10	P53779	1/20	0.58

▸	KDM1A	O60341	1/20	0.58

▸	F2	P00734	1/20	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
SCHEMBL31544752	0.96	TFPI (0.60)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29588486	0.95	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
Cathelicidin SCHEMBL29350781	0.92	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29509548	0.91	TFPI (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31183026	0.91	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182651	0.91	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31336977	0.90	TFPI (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495701	0.90	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31230205	0.89	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29525763	0.89	KDM1A (0.63)	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