SCHEMBL30495729

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

nearest known ligand 0.58

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.51

▸	VIPR1	P32241	1/20	0.50

▸	GLP1R	P43220	3/20	0.50

▸	CCKBR	P32239	1/20	0.50

▸	BACE1	P56817	1/20	0.50

▸	PTH1R	Q03431	3/20	0.49

▸	RXFP1	Q9HBX9	2/20	0.49

▸	GCGR	P47871	1/20	0.49

▸	GIPR	P48546	1/20	0.49

▸	ECE1	P42892	1/20	0.49

▸	MUS81	Q96NY9	1/20	0.49

▸	KEAP1	Q14145	1/20	0.48

▸	VIPR2	P41587	1/20	0.47

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
SCHEMBL30420443	0.91	GLP1R (0.50)	TFPIVIPR1GLP1RCCKBRBACE1
SCHEMBL9058969	0.90	GLP1R (0.52)	TFPIVIPR1GLP1RCCKBRPTH1R
SCHEMBL9058977	0.90	GLP1R (0.52)	TFPIVIPR1GLP1RCCKBRPTH1R
SCHEMBL30159188	0.89	PTH1R (0.57)	VIPR1GLP1RCCKBRBACE1PTH1R
SCHEMBL30804668	0.89	OPRL1 (0.49)	TFPIVIPR1GLP1RCCKBRBACE1
SCHEMBL30433100	0.88	BACE1 (0.49)	BACE1
SCHEMBL30463856	0.88	RXFP1 (0.59)	TFPIVIPR1GLP1RCCKBRBACE1
SCHEMBL30432139	0.88	RXFP1 (0.58)	TFPIVIPR1GLP1RCCKBRPTH1R
SCHEMBL30712928	0.87	TFPI (0.56)	TFPIVIPR1GLP1RCCKBRPTH1R
SCHEMBL30432112	0.87	RXFP1 (0.60)	TFPIVIPR1GLP1RCCKBRPTH1R

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