SCHEMBL5799414

Cc1c(N2CCC(C(NC(N)(C3CCN(c4c(F)cc5c(=O)n(N)c(=O)n(C6CC6)c5c4C)C3)C(C)(C)C#N)C(C)(C)C#N)C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.55

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	8/20	0.37

▸	CYP1A2	P05177	1/20	0.34

▸	CYP3A4	P08684	1/20	0.34

▸	CYP2D6	P10635	1/20	0.34

▸	CYP2C9	P11712	1/20	0.34

▸	CYP2C19	P33261	1/20	0.34

▸	CACNA1C	Q13936	1/20	0.34

▸	SCN5A	Q14524	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
SCHEMBL5802126	0.92	KCNH2 (0.36)	KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5799406	0.92	KCNH2 (0.34)	KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5454150	0.83	KCNH2 (0.45)	KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5459406	0.82	KCNH2 (0.43)	KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5459437	0.80	KCNH2 (0.49)	KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5459596	0.80	KCNH2 (0.49)	KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5462427	0.79	KCNH2 (0.49)	KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5799793	0.78	—	—
SCHEMBL5799781	0.78	KCNH2 (0.34)	KCNH2
SCHEMBL7097217	0.76	KCNH2 (0.45)	KCNH2SCN5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1687296-A1	ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES	Warner-Lambert Company LLC (US)	2006-08-09	—	—	EP	disclosed
WO-2005049605-A1	ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES	WARNER-LAMBERT COMPANY LLC (US)	2005-06-02	—	—	WO	disclosed