SCHEMBL19819636

CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(N)=O)CSCC(=O)N[C@@H](CCc2ccc(O)cc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCCN)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C

nearest known ligand 0.61

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CD274	Q9NZQ7	9/20	0.61

▸	PDCD1	Q15116	7/20	0.57

▸	CIB1	Q99828	3/20	0.48

▸	EPHA2	P29317	1/20	0.47

▸	KLKB1	P03952	1/20	0.46

▸	LDLR	P01130	5/20	0.45

▸	PCSK9	Q8NBP7	5/20	0.45

▸	ACE	P12821	1/20	0.45

▸	ACE2	Q9BYF1	1/20	0.45

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
SCHEMBL17815058	0.98	CD274 (0.63)	CD274PDCD1CIB1EPHA2KLKB1
SCHEMBL18257615	0.97	CD274 (0.64)	CD274PDCD1CIB1EPHA2KLKB1
SCHEMBL17815037	0.96	CD274 (0.64)	CD274PDCD1CIB1KLKB1LDLR
SCHEMBL18257319	0.96	CD274 (0.64)	CD274PDCD1CIB1KLKB1LDLR
SCHEMBL17815065	0.96	CD274 (0.66)	CD274PDCD1CIB1EPHA2KLKB1
SCHEMBL17815297	0.96	CD274 (0.63)	CD274PDCD1CIB1EPHA2KLKB1
SCHEMBL17815357	0.96	CD274 (0.61)	CD274PDCD1CIB1EPHA2KLKB1
SCHEMBL17815362	0.95	CD274 (0.65)	CD274PDCD1CIB1KLKB1LDLR
SCHEMBL17815274	0.95	CD274 (0.62)	CD274PDCD1CIB1EPHA2LDLR
SCHEMBL17815180	0.95	CD274 (0.64)	CD274PDCD1CIB1EPHA2KLKB1

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-9879046-B2	Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions	BRISTOL-MYERS SQUIBB COMPANY (US)	2018-01-30	—	—	US	disclosed