SCHEMBL3879264

SCHEMBL3879264

COCCC#Cc1cccc(CCC(OC(N)=O)C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
REN P00797 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
CTSK P43235 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
CYP2D6 P10635 1/20 0.32
PTGES O14684 2/20 0.32
ACACB O00763 2/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL237494 0.77 HTR2C (0.38) BACE1HRH3PPARGPPARDPPARA
SCHEMBL3879268 0.74 BACE1 (0.35) FFAR1RENCTSDBACE1BACE2
SCHEMBL612858 0.73 NPC1 (0.38) FFAR1CTSKPTGESACACB
SCHEMBL612960 0.73 TAAR1 (0.39) FFAR1RENCTSDBACE1BACE2
SCHEMBL612036 0.72 SIGMAR1 (0.43) PTGES
SCHEMBL613578 0.69 HRH3 (0.39) FFAR1RENCTSDBACE1BACE2
SCHEMBL236186 0.67 FFAR1 (0.39) FFAR1CYP2D6PTGESPPARGPPARD
SCHEMBL237488 0.67 TAAR1 (0.38) FFAR1HRH3CYP2D6
SCHEMBL4178362 0.67 LMNA (0.47) FFAR1HRH3
SCHEMBL611605 0.67 FFAR1 (0.35) FFAR1HRH3CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111223-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-10-28 EP disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 WO disclosed