SCHEMBL3623280

COc1ccc2c(=O)n(CC(O)CO)c(C#N)c(-c3cccc(C(F)(F)F)c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	KCNA5	P22460	9/20	1.00

▸	KCNH2	Q12809	8/20	1.00

▸	DPP4	P27487	1/20	0.41

▸	MAPK8	P45983	1/20	0.39

▸	MAOA	P21397	2/20	0.38

▸	PGR	P06401	1/20	0.37

▸	RORA	P35398	1/20	0.37

▸	RORC	P51449	1/20	0.37

▸	RORB	Q92753	1/20	0.37

▸	AKR1C3	P42330	2/20	0.37

▸	AKR1C2	P52895	2/20	0.37

▸	GRIN1	Q05586	1/20	0.37

▸	GRIN2B	Q13224	1/20	0.37

▸	KDM5A	P29375	1/20	0.36

▸	TP53	P04637	1/20	0.36

▸	POLB	P06746	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
SCHEMBL3623830	0.89	KCNA5 (1.00)	KCNA5KCNH2DPP4MAPK8
SCHEMBL13283562	0.88	KCNA5 (0.82)	KCNA5KCNH2DPP4MAPK8
SCHEMBL3617133	0.87	KCNA5 (1.00)	KCNA5KCNH2DPP4MAPK8
SCHEMBL3621295	0.87	KCNA5 (1.00)	KCNA5KCNH2DPP4MAPK8
SCHEMBL3615307	0.87	KCNA5 (1.00)	KCNA5KCNH2DPP4MAPK8
SCHEMBL3624586	0.87	KCNA5 (0.81)	KCNA5KCNH2DPP4MAPK8
SCHEMBL3625275	0.87	KCNA5 (0.81)	KCNA5KCNH2DPP4MAPK8
SCHEMBL3627252	0.82	KCNA5 (0.80)	KCNA5KCNH2DPP4MAPK8
SCHEMBL3624319	0.82	KCNA5 (0.85)	KCNA5KCNH2DPP4MAPK8
SCHEMBL1381734	0.81	KCNA5 (0.68)	KCNA5KCNH2MAOAPGRRORA

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
US-7763614-B2	Isoquinoline potassium channel inhibitors	MERCK SHARP & DOHME CORP. (US)	2010-07-27	—	—	US	claimed