SCHEMBL745324

SCHEMBL745324

O=C(O)N1CCC2(CC(Oc3cccc(C(F)(F)F)c3)C2)C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 8/20 0.64
MGLL Q99685 5/20 0.64
FFAR1 O14842 2/20 0.50
EPHX2 P34913 2/20 0.48
FAAH O00519 1/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LOXL2 Q9Y4K0 2/20 0.43
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL16207793 0.93 ABHD6 (0.61) ABHD6MGLLFFAR1EPHX2FAAH
SCHEMBL6115310 0.86 ABHD6 (0.62) ABHD6MGLLFFAR1EPHX2FAAH
SCHEMBL20491222 0.82 ABHD6 (0.58) ABHD6MGLLFFAR1EPHX2MEN1
SCHEMBL30758634 0.82 ABHD6 (0.58) ABHD6MGLLFFAR1EPHX2MEN1
SCHEMBL9903075 0.80 EPHX2 (0.65) ABHD6MGLLFFAR1EPHX2SLC6A2
SCHEMBL20983865 0.79 ABHD6 (0.72) ABHD6MGLLFFAR1EPHX2FAAH
SCHEMBL20490884 0.79 ABHD6 (0.55) ABHD6MGLLFFAR1EPHX2FAAH
SCHEMBL30807580 0.79 ABHD6 (0.55) ABHD6MGLLFFAR1EPHX2FAAH
SCHEMBL20983736 0.78 ABHD6 (1.00) ABHD6MGLLFFAR1EPHX2FAAH
Trifluoroacetic Acid SCHEMBL20983827 0.78 ABHD6 (0.56) ABHD6MGLLFFAR1EPHX2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430012-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP claimed
WO-2010130945-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO claimed
EP-2430012-B1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed