SCHEMBL19792177

COC(=O)N[C@H](C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc(C6NC7CCC6C7)[nH]c5c4)ccc2-3)[nH]1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CYP2C9	P11712	4/20	0.45

▸	CYP3A4	P08684	4/20	0.45

▸	NR1I2	O75469	2/20	0.45

▸	KCNH2	Q12809	2/20	0.45

▸	ABCB11	O95342	1/20	0.45

▸	OPRK1	P41145	1/20	0.45

▸	CYP1A2	P05177	2/20	0.43

▸	CYP2D6	P10635	1/20	0.43

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
SCHEMBL2706741	1.00	CYP2C9 (0.45)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL19981457	1.00	CYP2C9 (0.45)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL19792202	1.00	CYP2C9 (0.45)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL18080886	1.00	CYP2C9 (0.45)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL206545	1.00	CYP2C9 (0.45)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL8747807	0.95	CYP2C9 (0.46)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL19981365	0.92	CYP2C9 (0.36)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL20055182	0.90	CYP2C9 (0.45)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL13070987	0.90	CYP2C9 (0.44)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL18080874	0.90	CYP2C9 (0.46)	CYP2C9CYP3A4NR1I2KCNH2ABCB11

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-3272747-A1	METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR	Shanghai Forefront Pharmceutical Co., Ltd (CN)	2018-01-24	—	—	EP	disclosed