SCHEMBL13145134

C[C@@H]1C[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCN(C)N6C(=O)OC(C)(C)C)[nH]5)cc4)cc3)[nH]2)N[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	SSTR3	P32745	4/20	0.45

▸	HPGDS	O60760	3/20	0.43

▸	KCNH2	Q12809	4/20	0.40

▸	CYP3A4	P08684	3/20	0.40

▸	CYP2C9	P11712	3/20	0.40

▸	NR1I2	O75469	1/20	0.40

▸	ABCB11	O95342	1/20	0.40

▸	OPRK1	P41145	1/20	0.40

▸	PRCP	P42785	7/20	0.39

▸	CYP1A2	P05177	2/20	0.38

▸	CYP2D6	P10635	1/20	0.38

▸	GPR119	Q8TDV5	1/20	0.36

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
SCHEMBL10132326	1.00	SSTR3 (0.45)	SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL825074	0.90	HPGDS (0.50)	SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL825066	0.90	SSTR3 (0.46)	SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL825078	0.84	HPGDS (0.47)	SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL825176	0.83	HPGDS (0.46)	SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL1316015	0.79	HPGDS (0.41)	SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL1316017	0.79	HPGDS (0.41)	SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL1316016	0.79	HPGDS (0.41)	SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL853975	0.78	HPGDS (0.43)	SSTR3HPGDSPRCP
SCHEMBL13145752	0.78	HPGDS (0.43)	SSTR3HPGDSPRCP

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
WO-2010117977-A1	HEPATITIS C VIRUS INHIBITORS	BRISTOL-MYERS SQUIBB COMPANY (US)	2010-10-14	—	—	WO	disclosed