SCHEMBL30712890

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

nearest known ligand 0.58

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR2	P41587	6/20	0.58

▸	RXFP1	Q9HBX9	1/20	0.57

▸	VIPR1	P32241	4/20	0.56

▸	NPY2R	P49146	6/20	0.54

▸	NPY4R	P50391	6/20	0.54

▸	NPY5R	Q15761	6/20	0.54

▸	NPY1R	P25929	4/20	0.54

▸	PTH1R	Q03431	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
SCHEMBL29677393	0.94	RXFP1 (0.58)	VIPR2RXFP1VIPR1PTH1R
SCHEMBL29623995	0.92	VIPR1 (0.61)	VIPR2RXFP1VIPR1PTH1R
SCHEMBL30182861	0.92	VIPR2 (0.54)	VIPR2VIPR1NPY2RNPY4RNPY5R
SCHEMBL30432112	0.90	RXFP1 (0.60)	RXFP1VIPR1NPY2RNPY4RNPY5R
SCHEMBL29677217	0.90	VIPR2 (0.57)	VIPR2RXFP1VIPR1PTH1R
SCHEMBL30536311	0.90	VIPR1 (0.55)	VIPR2RXFP1VIPR1NPY2RNPY4R
SCHEMBL29677265	0.90	VIPR2 (0.57)	VIPR2RXFP1VIPR1PTH1R
SCHEMBL30261997	0.90	VIPR1 (0.60)	VIPR2RXFP1VIPR1
SCHEMBL31603938	0.90	VIPR1 (0.58)	VIPR2RXFP1VIPR1PTH1R
SCHEMBL29677337	0.89	RXFP1 (0.55)	VIPR2RXFP1VIPR1PTH1R

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