SCHEMBL30199081

C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	2/20	0.54

▸	CTSB	P07858	2/20	0.54

▸	SLC6A2	P23975	1/20	0.53

▸	DPP3	Q9NY33	5/20	0.53

▸	CXCR4	P61073	1/20	0.53

▸	CALCRL	Q16602	3/20	0.52

▸	KISS1R	Q969F8	4/20	0.51

▸	NTSR2	O95665	1/20	0.50

▸	NTSR1	P30989	1/20	0.50

▸	SORT1	Q99523	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
SCHEMBL30257775	0.89	CXCR4 (0.56)	CAPN1CTSBDPP3CXCR4CALCRL
SCHEMBL30901434	0.87	CAPN1 (0.53)	CAPN1CTSBSLC6A2DPP3CXCR4
SCHEMBL29550964	0.87	KISS1R (0.58)	SLC6A2DPP3CXCR4KISS1RNTSR2
SCHEMBL30269204	0.84	DPP3 (0.57)	CAPN1CTSBDPP3KISS1RNTSR2
SCHEMBL29454493	0.83	DPP3 (0.57)	CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL29454483	0.83	DPP3 (0.57)	CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL30450633	0.83	DPP3 (0.57)	SLC6A2DPP3CALCRLKISS1R
SCHEMBL31307926	0.83	DPP3 (0.59)	CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL30504385	0.82	DPP3 (0.60)	CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL31357807	0.82	DPP3 (0.54)	CAPN1CTSBDPP3KISS1RNTSR2

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
EP-4121547-A1	METHODS AND BIOLOGICAL SYSTEMS FOR DISCOVERING AND OPTIMIZING LASSO PEPTIDES	Lassogen, Inc. (US)	2023-01-25	—	—	EP	disclosed