SCHEMBL18829202

COC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C1NC=C(c2ccc3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)OCc6ccccc6)[nH]5)cc4)ccc3c2)N1

nearest known ligand 0.55

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	2/20	0.55

▸	CYP3A4	P08684	4/20	0.50

▸	CYP2C9	P11712	3/20	0.50

▸	NR1I2	O75469	2/20	0.50

▸	ABCB11	O95342	1/20	0.50

▸	OPRK1	P41145	1/20	0.50

▸	CYP1A2	P05177	2/20	0.49

▸	CYP2D6	P10635	1/20	0.46

▸	PRCP	P42785	10/20	0.43

▸	PREP	P48147	2/20	0.41

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
SCHEMBL6119937	0.90	KCNH2 (0.65)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL8752135	0.90	KCNH2 (0.65)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL18829201	0.88	KCNH2 (0.60)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL18829200	0.87	PRCP (0.46)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL7607665	0.83	CYP3A4 (0.71)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL18829115	0.83	CYP3A4 (0.64)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL18829227	0.82	CYP3A4 (0.63)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL18829429	0.81	KCNH2 (0.51)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL18829428	0.81	CYP3A4 (0.54)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL18829228	0.81	CYP3A4 (0.59)	KCNH2CYP3A4CYP2C9NR1I2ABCB11

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-2640719-B1	ANTIVIRAL COMPOUNDS	GILEAD PHARMASSET LLC (US)	2017-05-10	—	—	EP	disclosed