SCHEMBL30712928

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

nearest known ligand 0.65

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.56

▸	RXFP1	Q9HBX9	4/20	0.54

▸	PTH1R	Q03431	3/20	0.54

▸	GLP1R	P43220	2/20	0.52

▸	CCKBR	P32239	1/20	0.52

▸	GRPR	P30550	1/20	0.52

▸	GCGR	P47871	1/20	0.52

▸	GIPR	P48546	1/20	0.52

▸	VIPR1	P32241	1/20	0.50

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
SCHEMBL30433492	0.90	PTH1R (0.57)	TFPIRXFP1PTH1RGLP1RCCKBR
SCHEMBL30607454	0.89	RXFP1 (0.53)	RXFP1PTH1RGLP1RCCKBRVIPR1
SCHEMBL31182705	0.88	TFPI (0.57)	TFPIRXFP1PTH1RGLP1RCCKBR
SCHEMBL30495796	0.88	RXFP1 (0.59)	RXFP1PTH1RGLP1RCCKBRVIPR1
SCHEMBL31182832	0.88	RXFP1 (0.61)	TFPIRXFP1PTH1RGLP1RCCKBR
SCHEMBL29777752	0.88	RXFP1 (0.54)	TFPIRXFP1PTH1RGLP1RGCGR
SCHEMBL29777742	0.88	RXFP1 (0.54)	TFPIRXFP1PTH1RGLP1RGCGR
SCHEMBL30432139	0.88	RXFP1 (0.58)	TFPIRXFP1PTH1RGLP1RCCKBR
SCHEMBL30495729	0.87	TFPI (0.51)	TFPIRXFP1PTH1RGLP1RCCKBR
SCHEMBL31182576	0.87	PTH1R (0.58)	TFPIRXFP1PTH1RGLP1RCCKBR

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-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed