SCHEMBL5614293

SCHEMBL5614293

FC(F)(F)C(C1CCC(N(Cc2ccccc2)CC2CC2)CC1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.45
SLC6A4 P31645 7/20 0.45
LTA4H P09960 1/20 0.42
DPP4 P27487 2/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP8 Q6V1X1 1/20 0.40
YTHDC1 Q96MU7 1/20 0.38
OPRM1 P35372 3/20 0.36
OPRK1 P41145 3/20 0.36
OPRD1 P41143 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
PAX8 Q06710 1/20 0.35
GRIN2B Q13224 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL5355490 0.77 SLC6A2 (0.44) SLC6A2SLC6A4LTA4HDPP4DPP9
SCHEMBL18828701 0.76 LTA4H (0.59) SLC6A2SLC6A4LTA4HYTHDC1OPRM1
SCHEMBL18987599 0.76 YTHDC1 (0.48) SLC6A2SLC6A4DPP4DPP9DPP7
SCHEMBL5357408 0.73 SLC6A2 (0.39) SLC6A2SLC6A4LTA4HDPP4DPP9
SCHEMBL28984093 0.72 YTHDC1 (0.47) SLC6A2SLC6A4DPP4DPP9DPP7
SCHEMBL30389942 0.72 YTHDC1 (0.47) SLC6A2SLC6A4DPP4DPP9DPP7
SCHEMBL3376962 0.72 YTHDC1 (0.58) SLC6A2SLC6A4DPP4DPP9DPP7
SCHEMBL17103499 0.71 YTHDC1 (0.49) SLC6A2SLC6A4YTHDC1OPRM1OPRK1
SCHEMBL17103497 0.71 YTHDC1 (0.49) SLC6A2SLC6A4YTHDC1OPRM1OPRK1
SCHEMBL30389917 0.71 YTHDC1 (0.46) SLC6A2SLC6A4DPP4DPP9DPP7

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-1831158-A1 NOVEL CYCLOHEXANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
WO-2006066779-A1 NOVEL CYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed