SCHEMBL690876

CC(C)(C)OC(=O)ON1CCC[C@H]1c1ncc(-c2cnc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)nc2)n1COCC[Si](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	HPGDS	O60760	3/20	0.44

▸	PRCP	P42785	9/20	0.39

▸	CYP3A4	P08684	4/20	0.38

▸	CYP2C9	P11712	3/20	0.38

▸	CYP1A2	P05177	2/20	0.38

▸	NR1I2	O75469	1/20	0.38

▸	ABCB11	O95342	1/20	0.38

▸	OPRK1	P41145	1/20	0.38

▸	KCNH2	Q12809	1/20	0.38

▸	CYP2D6	P10635	1/20	0.36

▸	OPRM1	P35372	1/20	0.34

▸	OPRD1	P41143	1/20	0.34

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
SCHEMBL691386	0.93	HPGDS (0.48)	HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL691385	0.93	HPGDS (0.48)	HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL3392181	0.91	HPGDS (0.48)	HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL3392170	0.91	HPGDS (0.48)	HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL691205	0.90	ALDH1A1 (0.35)	HPGDS
SCHEMBL19334198	0.84	HPGDS (0.48)	HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL13293928	0.84	PRCP (0.42)	HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL12158987	0.84	PRCP (0.42)	HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL12158982	0.84	PRCP (0.41)	HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL13293925	0.84	PRCP (0.41)	HPGDSPRCPCYP3A4CYP2C9CYP1A2

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-2049116-B1	HEPATITIS C VIRUS INHIBITORS	BRISTOL MYERS SQUIBB CO (US)	2012-02-29	—	—	EP	claimed