SCHEMBL6000194

CC(N)(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CC[C@H]4CCCC[C@@H]4C3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	SLC34A2	O95436	1/20	0.43

▸	BRAF	P15056	9/20	0.43

▸	RAF1	P04049	7/20	0.43

▸	HTR2A	P28223	1/20	0.39

▸	KCNH2	Q12809	1/20	0.39

▸	TRPV4	Q9HBA0	1/20	0.38

▸	MAPK1	P28482	1/20	0.38

▸	LCK	P06239	2/20	0.38

▸	MAPK14	Q16539	2/20	0.38

▸	WDR5	P61964	1/20	0.37

▸	SCD	O00767	1/20	0.37

▸	LMNA	P02545	1/20	0.37

▸	KDM4E	B2RXH2	1/20	0.37

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
SCHEMBL47765	0.91	SLC34A2 (0.46)	SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL46773	0.90	SLC34A2 (0.45)	SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL5998740	0.89	SLC34A2 (0.46)	SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL46989	0.89	SLC34A2 (0.46)	SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL15432683	0.89	SLC34A2 (0.44)	SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL5999589	0.89	SLC34A2 (0.44)	SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL46683	0.88	SLC34A2 (0.45)	SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL5998372	0.87	BRAF (0.46)	SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL6002088	0.86	SLC34A2 (0.44)	SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL6002189	0.86	SLC34A2 (0.44)	SLC34A2BRAFRAF1HTR2AKCNH2

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-2012054110-A2	COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT	ARDELYX, INC. (US)	2012-04-26	—	—	WO	disclosed