SCHEMBL12856044

CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@@H]1CCCCCCCCCC[C@H](N)C(=O)N2C[C@H](CNC(=O)OCc3ccccc3)C[C@H]2C(=O)N1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	9/20	0.36

▸	TSHR	P16473	5/20	0.36

▸	OPRK1	P41145	3/20	0.35

▸	ALDH1A1	P00352	4/20	0.35

▸	ELANE	P08246	2/20	0.34

▸	CTSL	P07711	1/20	0.34

▸	CTSB	P07858	1/20	0.34

▸	CTSS	P25774	1/20	0.34

▸	CTSK	P43235	1/20	0.34

▸	HPGD	P15428	1/20	0.32

▸	MAPT	P10636	1/20	0.32

▸	TP53	P04637	1/20	0.32

▸	HTR7	P34969	1/20	0.32

▸	HTR5A	P47898	1/20	0.32

▸	HTR6	P50406	1/20	0.32

▸	ANPEP	P15144	1/20	0.32

▸	LNPEP	Q9UIQ6	1/20	0.32

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
SCHEMBL8291442	0.89	CASP3 (0.36)	CYP3A4TSHROPRK1ALDH1A1ELANE
SCHEMBL13685733	0.76	ELANE (0.33)	ELANE
SCHEMBL13685696	0.75	ELANE (0.37)	ELANE
SCHEMBL8289686	0.74	ELANE (0.39)	ELANE
SCHEMBL8289687	0.74	PSMB9 (0.45)	ELANE
SCHEMBL16349768	0.73	LNPEP (0.33)	ELANELNPEP
SCHEMBL13685680	0.73	TERF2 (0.43)	—
SCHEMBL13685619	0.73	TERF2 (0.40)	ELANE
SCHEMBL13684966	0.72	CYP3A4 (0.36)	CYP3A4TSHROPRK1ALDH1A1
SCHEMBL13685116	0.72	CYP3A4 (0.36)	CYP3A4TSHROPRK1ALDH1A1

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
EP-1664092-B1	MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE	SCHERING CORP (US)	2011-02-02	—	—	EP	disclosed