SCHEMBL19749551

CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccc(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](CCCCN)C(=O)N2CCC[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 0.69

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CD274	Q9NZQ7	9/20	0.69

▸	PDCD1	Q15116	7/20	0.65

▸	ACE	P12821	2/20	0.53

▸	ACE2	Q9BYF1	2/20	0.53

▸	KLKB1	P03952	4/20	0.52

▸	CIB1	Q99828	3/20	0.51

▸	LDLR	P01130	1/20	0.49

▸	PCSK9	Q8NBP7	1/20	0.49

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
SCHEMBL17815230	0.98	CD274 (0.71)	CD274PDCD1ACEACE2KLKB1
SCHEMBL19749494	0.97	CD274 (0.68)	CD274PDCD1ACEACE2KLKB1
SCHEMBL17815123	0.97	CD274 (0.66)	CD274PDCD1ACEACE2KLKB1
SCHEMBL17815040	0.96	CD274 (0.65)	CD274PDCD1ACEACE2KLKB1
SCHEMBL19749511	0.96	CD274 (0.70)	CD274PDCD1KLKB1LDLRPCSK9
SCHEMBL17814991	0.95	CD274 (0.68)	CD274PDCD1ACEACE2KLKB1
SCHEMBL21553670	0.95	CD274 (0.68)	CD274PDCD1ACEACE2KLKB1
SCHEMBL19341234	0.95	CD274 (0.69)	CD274PDCD1ACEACE2KLKB1
SCHEMBL17815067	0.94	CD274 (0.65)	CD274PDCD1ACEACE2KLKB1
SCHEMBL19749516	0.94	CD274 (0.66)	CD274PDCD1ACEACE2KLKB1

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-9850283-B2	Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions	BRISTOL-MYERS SQUIBB COMPANY (US)	2017-12-26	—	—	US	disclosed