SCHEMBL17277690

COC(=O)N[C@H](C(=O)N1C[Si](C)(C)CC1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c54)c3)cc2)[nH]1)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	7/20	0.67

▸	CYP2C9	P11712	5/20	0.67

▸	NR1I2	O75469	2/20	0.67

▸	KCNH2	Q12809	2/20	0.67

▸	ABCB11	O95342	1/20	0.67

▸	OPRK1	P41145	1/20	0.67

▸	CYP1A2	P05177	3/20	0.61

▸	CYP2D6	P10635	2/20	0.60

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
SCHEMBL16520600	1.00	CYP3A4 (0.67)	CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL12295071	1.00	CYP3A4 (0.67)	CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL16520645	0.97	CYP3A4 (0.63)	CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL16520641	0.97	CYP3A4 (0.63)	CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL16523049	0.97	CYP3A4 (0.63)	CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL16520627	0.97	CYP3A4 (0.63)	CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL16520638	0.96	CYP3A4 (0.62)	CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL16523015	0.96	CYP3A4 (0.62)	CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL14816928	0.96	CYP3A4 (0.61)	CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL16520635	0.96	CYP3A4 (0.61)	CYP3A4CYP2C9NR1I2KCNH2ABCB11

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-2545060-B1	FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES	MERCK SHARP & DOHME (US)	2015-11-25	—	—	EP	disclosed