SCHEMBL1709406

SCHEMBL1709406

O=C(O)CC1CCCC(N(CC2CCCCC2)CC2CCCCC2)C1c1ccc(F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.32
OPRM1 P35372 2/20 0.31
OPRK1 P41145 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LPAR1 Q92633 1/20 0.30
LPAR5 Q9H1C0 1/20 0.30
PTGDR2 Q9Y5Y4 2/20 0.30
ALOX5 P09917 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL10033118 0.86 OPRL1 (0.38) EPHX2ALDH1A1PTGDR2
SCHEMBL1709473 0.86 ALDH1A1 (0.38) EPHX2SLC6A2SLC6A4ALDH1A1HDAC1
SCHEMBL10033119 0.84 PTGDR2 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1709359 0.83 USP30 (0.38) SLC6A2SLC6A4ALDH1A1HDAC3HDAC1
SCHEMBL1709409 0.81 POLB (0.38) SLC6A2SLC6A4
SCHEMBL1709358 0.80 DPEP1 (0.36) EPHX2SLC6A2SLC6A4ALDH1A1
SCHEMBL1709489 0.80 OPRM1 (0.37) OPRM1SLC6A2SLC6A4PTGDR2
SCHEMBL1709407 0.79 TP53 (0.39) EPHX2OPRM1OPRK1ALDH1A1HDAC1
SCHEMBL1709480 0.79 NPC1 (0.38) ALDH1A1
SCHEMBL1709454 0.79 SLC6A2 (0.40) SLC6A2SLC6A4

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed