SCHEMBL8907748

CCCN(c1ccc(C(O)(C(=O)OC)C(F)(F)F)cc1)N(C[C@H](O[Si](C)(C)C(C)(C)C)c1cccc(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	POLB	P06746	2/20	0.36

▸	SMN1; SMN2	Q16637	1/20	0.36

▸	MCHR1	Q99705	1/20	0.36

▸	HTT	P42858	1/20	0.35

▸	TSHR	P16473	3/20	0.34

▸	MAPK1	P28482	2/20	0.34

▸	NPSR1	Q6W5P4	1/20	0.34

▸	LMNA	P02545	2/20	0.33

▸	ALDH1A1	P00352	2/20	0.33

▸	NPC1	O15118	1/20	0.31

▸	RAB9A	P51151	1/20	0.31

▸	NR1H2	P55055	2/20	0.31

▸	NR1H3	Q13133	2/20	0.31

▸	HSD11B1	P28845	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
SCHEMBL5950028	0.81	ADRB2 (0.37)	—
SCHEMBL7709013	0.81	NR1H2 (0.33)	NR1H2NR1H3
SCHEMBL7714535	0.81	—	—
SCHEMBL7714673	0.81	S1PR3 (0.31)	—
SCHEMBL8901294	0.80	S1PR3 (0.32)	NPSR1ALDH1A1NPC1
SCHEMBL7714949	0.80	—	—
SCHEMBL5949917	0.80	ADRB2 (0.36)	—
SCHEMBL8900331	0.79	ITGB1 (0.31)	—
SCHEMBL5950124	0.78	ADRB2 (0.37)	—
SCHEMBL7712723	0.77	—	—

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-1997021666-A1	ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS	GLAXO GROUP LIMITED (GB)	1997-06-19	—	—	WO	disclosed