SCHEMBL1025316

CC(O)(CC(N1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(N)cc1F)C2)C(C)(C)O)CN1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])cc1F)C2

nearest known ligand 0.38

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	OPRK1	P41145	3/20	0.38

▸	OPRM1	P35372	2/20	0.38

▸	KCNH2	Q12809	2/20	0.38

▸	POLB	P06746	1/20	0.36

▸	MITF	O75030	1/20	0.33

▸	RAB9A	P51151	1/20	0.33

▸	TDP1	Q9NUW8	1/20	0.31

▸	S1PR4	O95977	1/20	0.31

▸	BACE1	P56817	1/20	0.30

▸	NPSR1	Q6W5P4	1/20	0.30

▸	L3MBTL1	Q9Y468	1/20	0.30

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
SCHEMBL1025315	0.87	OPRK1 (0.43)	OPRK1OPRM1KCNH2POLBMITF
SCHEMBL1025314	0.87	OPRK1 (0.43)	OPRK1OPRM1KCNH2POLBMITF
SCHEMBL1022406	0.81	OPRM1 (0.45)	OPRK1OPRM1KCNH2POLBMITF
SCHEMBL1022408	0.81	OPRM1 (0.45)	OPRK1OPRM1KCNH2POLBMITF
SCHEMBL1022409	0.81	OPRM1 (0.45)	OPRK1OPRM1KCNH2POLBMITF
SCHEMBL4114706	0.76	OPRK1 (0.48)	OPRK1OPRM1KCNH2
SCHEMBL4114710	0.76	OPRK1 (0.48)	OPRK1OPRM1KCNH2
SCHEMBL4114703	0.76	OPRK1 (0.48)	OPRK1OPRM1KCNH2
SCHEMBL1021553	0.76	POLB (0.53)	OPRK1OPRM1KCNH2POLBS1PR4
SCHEMBL1021554	0.76	POLB (0.53)	OPRK1OPRM1KCNH2POLBS1PR4

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-1987006-B1	NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS	SANOFI AVENTIS (FR)	2011-01-12	—	—	EP	disclosed