SCHEMBL20614596

C=C(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC)C(C)C)C(=O)N1CCC[C@H]1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	DPP3	Q9NY33	4/20	0.46

▸	CCKBR	P32239	2/20	0.44

▸	CXCR4	P61073	2/20	0.43

▸	IL23R	Q5VWK5	1/20	0.43

▸	CASP1	P29466	1/20	0.43

▸	CASP3	P42574	1/20	0.43

▸	CASP7	P55210	1/20	0.43

▸	CXCL8	P10145	1/20	0.43

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
SCHEMBL23008652	0.94	DPP3 (0.47)	DPP3CCKBRCXCR4CASP1CASP3
SCHEMBL23008651	0.88	CCKBR (0.46)	DPP3CCKBRCXCR4CASP1CASP3
SCHEMBL21955853	0.85	ERBB2 (0.52)	CCKBRCXCL8
SCHEMBL21955442	0.85	DPP3 (0.47)	DPP3CCKBRCXCR4CASP1CASP3
SCHEMBL22984879	0.83	DPP3 (0.46)	DPP3CCKBRCXCR4IL23RCASP1
SCHEMBL21955932	0.78	ERBB2 (0.52)	CCKBRCXCR4IL23R
SCHEMBL21956028	0.78	IL23R (0.58)	CCKBRCXCR4IL23RCXCL8
SCHEMBL29565313	0.76	DPP3 (0.58)	DPP3CCKBRCXCR4
SCHEMBL22984866	0.76	CCKBR (0.49)	DPP3CCKBRCXCL8
SCHEMBL22753561	0.76	ERBB2 (0.49)	CCKBRIL23RCASP1CASP3CASP7

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
WO-2019002842-A1	BICYCLIC PEPTIDE LIGANDS WITH DETECTABLE MOIETIES AND USES THEREOF	Bicyclerd Limited (GB)	2019-01-03	—	—	WO	disclosed