SCHEMBL30495796

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	RXFP1	Q9HBX9	7/20	0.59

▸	PTH1R	Q03431	3/20	0.56

▸	GLP1R	P43220	2/20	0.55

▸	CCKBR	P32239	1/20	0.55

▸	VIPR1	P32241	1/20	0.54

▸	ECE1	P42892	1/20	0.53

▸	MUS81	Q96NY9	1/20	0.53

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
SCHEMBL30432139	0.91	RXFP1 (0.58)	RXFP1PTH1RGLP1RCCKBRVIPR1
SCHEMBL30463856	0.91	RXFP1 (0.59)	RXFP1PTH1RGLP1RCCKBRVIPR1
SCHEMBL30159188	0.91	PTH1R (0.57)	RXFP1PTH1RGLP1RCCKBRVIPR1
SCHEMBL30432112	0.91	RXFP1 (0.60)	RXFP1PTH1RGLP1RCCKBRVIPR1
SCHEMBL30862319	0.90	RXFP1 (0.57)	RXFP1PTH1RGLP1RVIPR1ECE1
SCHEMBL31182832	0.90	RXFP1 (0.61)	RXFP1PTH1RGLP1RCCKBRVIPR1
SCHEMBL30607454	0.89	RXFP1 (0.53)	RXFP1PTH1RGLP1RCCKBRVIPR1
SCHEMBL29623995	0.89	VIPR1 (0.61)	RXFP1PTH1RGLP1RVIPR1ECE1
SCHEMBL30432446	0.89	VIPR1 (0.57)	RXFP1PTH1RGLP1RVIPR1
SCHEMBL30437160	0.89	BACE1 (0.56)	RXFP1PTH1RGLP1RCCKBRVIPR1

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