SCHEMBL20484392

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc5c(c4)CCc4nc([C@@]6(C(C)(C)C)CCCN6C(=O)O)[nH]c4-5)ccc3c2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	PRCP	P42785	11/20	0.38

▸	HPGDS	O60760	3/20	0.36

▸	NR1I2	O75469	2/20	0.35

▸	CYP3A4	P08684	2/20	0.35

▸	CYP2C9	P11712	2/20	0.35

▸	ABCB11	O95342	1/20	0.35

▸	OPRK1	P41145	1/20	0.35

▸	KCNH2	Q12809	1/20	0.35

▸	CYP1A2	P05177	1/20	0.35

▸	CYP2D6	P10635	1/20	0.35

▸	HCRTR1	O43613	2/20	0.33

▸	HCRTR2	O43614	2/20	0.33

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
SCHEMBL20484393	1.00	PRCP (0.38)	PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL1293709	0.87	PRCP (0.43)	PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL1293708	0.87	PRCP (0.43)	PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL1293959	0.87	PRCP (0.43)	PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL1293960	0.87	PRCP (0.43)	PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL1293957	0.87	PRCP (0.43)	PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL18829066	0.81	PRCP (0.46)	PRCPHPGDS
SCHEMBL1746982	0.80	CYP3A4 (0.43)	PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL1747454	0.79	CYP3A4 (0.42)	PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL205920	0.79	PRCP (0.51)	PRCPHPGDSNR1I2CYP3A4CYP2C9

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-2499127-B1	HEPATITIS C VIRUS INHIBITORS	BRISTOL MYERS SQUIBB CO (US)	2018-09-05	—	—	EP	disclosed