SCHEMBL3710388

SCHEMBL3710388

CN(C(=O)C1CCN(C(F)(F)F)CC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
PDK2 Q15119 4/20 0.51
FASN P49327 3/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
CHRM4 P08173 1/20 0.40
MLNR O43193 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
F10 P00742 1/20 0.39
POLQ O75417 1/20 0.39

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
SCHEMBL1522068 0.81 HTT (0.59) LMNAFASNHTTPKMPOLB
SCHEMBL9001880 0.81 HTT (0.59) LMNAFASNHTTPKMPOLB
SCHEMBL20982251 0.79 PDK2 (0.80) PDK2
SCHEMBL8819827 0.77 PKM (0.59) LMNAFASNHTTPKMPOLB
SCHEMBL19540938 0.76 USP30 (0.57) LMNAPDK2PKM
SCHEMBL13841220 0.75 HTT (0.53) LMNAFASNHTTPKMPOLB
SCHEMBL9001847 0.74 FASN (0.52) LMNAFASNHTTPKMPOLB
SCHEMBL29273235 0.74 LMNA (0.49) LMNAFASNHTTPKMPOLB
SCHEMBL2312935 0.74 LMNA (0.49) LMNAPDK2FASNHTTPKM
SCHEMBL4802576 0.74 LMNA (0.49) LMNAFASNHTTPKMPOLB

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-2209376-A1 NOVEL SEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-07-28 EP disclosed
WO-2009049165-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed