SCHEMBL4412504

Cn1cc(Cc2cn(CC(=O)N(CCN3CCCCC3)Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	PLA2G7	Q13093	20/20	1.00

▸	CYP3A4	P08684	9/20	1.00

▸	CYP1A2	P05177	1/20	0.81

▸	CYP2D6	P10635	1/20	0.81

▸	CYP2C9	P11712	1/20	0.81

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
Hydrochloric Acid SCHEMBL4412855	0.91	PLA2G7 (0.99)	PLA2G7CYP3A4
SCHEMBL4416549	0.91	PLA2G7 (1.00)	PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4415632	0.91	PLA2G7 (0.99)	PLA2G7CYP3A4
SCHEMBL4414087	0.91	PLA2G7 (1.00)	PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5867426	0.90	PLA2G7 (0.99)	PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL3106248	0.89	PLA2G7 (1.00)	PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4416218	0.89	PLA2G7 (0.99)	PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5867350	0.89	PLA2G7 (0.99)	PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4422099	0.89	PLA2G7 (1.00)	PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4412887	0.88	PLA2G7 (0.99)	PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9

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-1479671-B1	Pyrimidinone compounds	SMITHKLINE BEECHAM PLC (GB)	2009-05-27	—	—	EP	claimed