SCHEMBL19749516

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](CCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C

nearest known ligand 0.66

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CD274	Q9NZQ7	9/20	0.66

▸	PDCD1	Q15116	7/20	0.66

▸	KLKB1	P03952	4/20	0.53

▸	CIB1	Q99828	2/20	0.53

▸	ACE	P12821	1/20	0.53

▸	ACE2	Q9BYF1	1/20	0.53

▸	EPHA2	P29317	1/20	0.52

▸	TET2	Q6N021	1/20	0.52

▸	TET1	Q8NFU7	1/20	0.52

▸	PCSK9	Q8NBP7	1/20	0.51

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
SCHEMBL17815017	0.97	CD274 (0.64)	CD274PDCD1KLKB1CIB1ACE
SCHEMBL17815219	0.96	CD274 (0.64)	CD274PDCD1KLKB1CIB1ACE
SCHEMBL19749552	0.95	CD274 (0.65)	CD274PDCD1KLKB1CIB1ACE
SCHEMBL17815243	0.95	CD274 (0.64)	CD274PDCD1KLKB1CIB1ACE
SCHEMBL16127777	0.94	CD274 (0.67)	CD274PDCD1KLKB1CIB1ACE
SCHEMBL17814996	0.94	CD274 (0.67)	CD274PDCD1KLKB1CIB1ACE
SCHEMBL17810862	0.94	CD274 (0.65)	CD274PDCD1KLKB1CIB1ACE
SCHEMBL17815197	0.94	CD274 (0.72)	CD274PDCD1KLKB1CIB1ACE2
SCHEMBL19749551	0.94	CD274 (0.69)	CD274PDCD1KLKB1CIB1ACE
SCHEMBL17815067	0.94	CD274 (0.65)	CD274PDCD1KLKB1CIB1ACE

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