SCHEMBL19749552

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](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCN)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 0.65

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CD274	Q9NZQ7	9/20	0.65

▸	PDCD1	Q15116	7/20	0.63

▸	CIB1	Q99828	4/20	0.56

▸	TET2	Q6N021	1/20	0.49

▸	TET1	Q8NFU7	1/20	0.49

▸	KLKB1	P03952	2/20	0.48

▸	ACE	P12821	1/20	0.48

▸	ACE2	Q9BYF1	1/20	0.48

▸	EPHA2	P29317	2/20	0.47

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
SCHEMBL17815049	0.97	CD274 (0.69)	CD274PDCD1CIB1TET2TET1
SCHEMBL17815066	0.97	CD274 (0.69)	CD274PDCD1CIB1TET2TET1
SCHEMBL19340771	0.97	CD274 (0.66)	CD274PDCD1CIB1TET2TET1
SCHEMBL19749819	0.97	CD274 (0.65)	CD274PDCD1CIB1KLKB1ACE
SCHEMBL17815063	0.96	CD274 (0.70)	CD274PDCD1CIB1TET2TET1
SCHEMBL19749507	0.96	CD274 (0.65)	CD274PDCD1CIB1TET2TET1
SCHEMBL19340785	0.96	CD274 (0.65)	CD274PDCD1CIB1KLKB1ACE
SCHEMBL19819373	0.96	CD274 (0.68)	CD274PDCD1CIB1TET2TET1
SCHEMBL17815053	0.96	CD274 (0.65)	CD274PDCD1CIB1TET2TET1
SCHEMBL18257584	0.96	CD274 (0.65)	CD274PDCD1CIB1TET2TET1

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