SCHEMBL3756681

CC[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1C(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCCC1)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA3	P0DMS8	1/20	0.40

▸	CHRM1	P11229	1/20	0.40

▸	TBXA2R	P21731	1/20	0.40

▸	PTGS1	P23219	1/20	0.40

▸	CTSS	P25774	1/20	0.40

▸	ADRA1A	P35348	1/20	0.40

▸	KDR	P35968	1/20	0.40

▸	ELANE	P08246	1/20	0.37

▸	KCNH2	Q12809	1/20	0.37

▸	CYP3A4	P08684	2/20	0.37

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
SCHEMBL3756690	1.00	ADORA3 (0.40)	ADORA3CHRM1TBXA2RPTGS1CTSS
SCHEMBL12726024	0.92	ELANE (0.43)	ADORA3CHRM1TBXA2RPTGS1CTSS
SCHEMBL3761800	0.91	CYP3A4 (0.45)	CYP3A4
SCHEMBL1635115	0.91	CYP3A4 (0.45)	CYP3A4
SCHEMBL3761797	0.91	CYP3A4 (0.45)	CYP3A4
SCHEMBL1635117	0.91	CYP3A4 (0.45)	CYP3A4
SCHEMBL12726025	0.90	ADORA3 (0.39)	ADORA3CHRM1TBXA2RPTGS1CTSS
SCHEMBL12765158	0.90	ELANE (0.42)	ADORA3CHRM1TBXA2RPTGS1CTSS
SCHEMBL7936511	0.89	CTSS (0.42)	ADORA3CHRM1TBXA2RPTGS1CTSS
SCHEMBL13336904	0.89	CTSS (0.42)	ADORA3CHRM1TBXA2RPTGS1CTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2185524-A1	NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION	Intermune, Inc. (US)	2010-05-19	—	—	EP	disclosed
WO-2008141227-A1	NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION	INTERMUNE, INC. (US)	2008-11-20	—	—	WO	disclosed