SCHEMBL30495786

CSCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.58

▸	PTH1R	Q03431	3/20	0.52

▸	VIPR1	P32241	1/20	0.50

▸	BACE1	P56817	1/20	0.50

▸	GLP1R	P43220	2/20	0.49

▸	CALCR	P30988	2/20	0.49

▸	CCKBR	P32239	1/20	0.49

▸	GCGR	P47871	1/20	0.49

▸	GIPR	P48546	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
SCHEMBL30083769	0.90	TFPI (0.63)	TFPIPTH1RGLP1RCCKBR
SCHEMBL30436788	0.89	TFPI (0.59)	TFPIVIPR1BACE1GLP1RCALCR
SCHEMBL29365490	0.89	TFPI (0.62)	TFPIVIPR1GLP1R
SCHEMBL29609357	0.89	TFPI (0.64)	TFPIVIPR1BACE1GLP1RCALCR
SCHEMBL30903291	0.88	TFPI (0.63)	TFPIPTH1RVIPR1BACE1GLP1R
SCHEMBL31575683	0.88	VIPR1 (0.61)	VIPR1BACE1GLP1RCALCRCCKBR
SCHEMBL31182918	0.87	TFPI (0.64)	TFPIVIPR1BACE1GLP1RCALCR
SCHEMBL29376362	0.86	TFPI (0.66)	TFPIVIPR1BACE1GLP1RGCGR
SCHEMBL30906588	0.86	TFPI (0.61)	TFPIVIPR1GLP1R
SCHEMBL29836442	0.86	TFPI (0.55)	TFPIPTH1RBACE1GLP1RCCKBR

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