SCHEMBL30495824

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	2/20	0.55

▸	TFPI	P10646	1/20	0.51

▸	PTH1R	Q03431	1/20	0.50

▸	RXFP1	Q9HBX9	1/20	0.49

▸	CALCR	P30988	1/20	0.49

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
SCHEMBL30437143	0.87	BACE1 (0.64)	BACE1TFPIPTH1RRXFP1CALCR
SCHEMBL30433489	0.86	BACE1 (0.57)	BACE1PTH1RCALCR
SCHEMBL30242913	0.85	KISS1R (0.61)	BACE1TFPI
SCHEMBL29728670	0.84	BACE1 (0.61)	BACE1TFPIPTH1RRXFP1CALCR
SCHEMBL9751911	0.84	BACE1 (0.57)	BACE1PTH1R
SCHEMBL9751906	0.84	BACE1 (0.57)	BACE1PTH1R
SCHEMBL29876535	0.84	OPRM1 (0.56)	BACE1
SCHEMBL30242907	0.84	KISS1R (0.62)	TFPI
SCHEMBL30512615	0.84	BACE1 (0.59)	BACE1TFPIPTH1R
SCHEMBL31073587	0.83	PTH1R (0.55)	BACE1PTH1RCALCR

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