SCHEMBL30495597

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR2	P41587	8/20	0.65

▸	VIPR1	P32241	7/20	0.63

▸	BACE1	P56817	5/20	0.61

▸	BACE2	Q9Y5Z0	2/20	0.61

▸	MAPK8	P45983	1/20	0.58

▸	MAPK9	P45984	1/20	0.58

▸	MAPK10	P53779	1/20	0.58

▸	ECE1	P42892	1/20	0.57

▸	GLP1R	P43220	1/20	0.57

▸	MUS81	Q96NY9	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
SCHEMBL31255179	0.94	VIPR2 (0.69)	VIPR2VIPR1BACE1BACE2ECE1
SCHEMBL30429336	0.93	VIPR1 (0.65)	VIPR2VIPR1ECE1GLP1RMUS81
SCHEMBL30974441	0.91	VIPR2 (0.63)	VIPR2VIPR1BACE1BACE2ECE1
SCHEMBL9437246	0.91	VIPR2 (0.69)	VIPR2VIPR1ECE1GLP1RMUS81
SCHEMBL31000883	0.91	GLP1R (0.63)	VIPR2VIPR1ECE1GLP1RMUS81
SCHEMBL30929981	0.91	VIPR2 (0.70)	VIPR2VIPR1BACE1BACE2ECE1
SCHEMBL30929948	0.90	VIPR2 (0.70)	VIPR2VIPR1BACE1BACE2ECE1
SCHEMBL29453351	0.89	VIPR2 (0.67)	VIPR2VIPR1BACE1BACE2GLP1R
SCHEMBL29453326	0.89	VIPR2 (0.67)	VIPR2VIPR1BACE1BACE2GLP1R
SCHEMBL29453325	0.89	VIPR2 (0.67)	VIPR2VIPR1BACE1BACE2GLP1R

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