SCHEMBL7065796

SCHEMBL7065796

C=C(C(=O)N1CCN(CCOC(C)O)CC1)c1cc[c]c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UGT8 Q16880 1/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
SLC6A1 P30531 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
TACR1 P25103 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LDHA P00338 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
SCHEMBL7065806 0.85 NAMPT (0.36) MEN1CYP3A4KMT2AHRH2HRH1
SCHEMBL7064158 0.84 KDM4E (0.36) MEN1KMT2A
SCHEMBL7063010 0.74 RBP4 (0.38) MEN1KMT2A
SCHEMBL7065196 0.71 NPC1 (0.32)
SCHEMBL7612097 0.66 KDM4E (0.38)
SCHEMBL7612083 0.64 KDM4E (0.36)
SCHEMBL5830005 0.64 ITGAL (0.42) MEN1KMT2A
SCHEMBL7065799 0.63 GPR183 (0.36) MEN1KMT2A
SCHEMBL6817245 0.62 ALDH1A1 (0.39) CYP3A4
SCHEMBL6918676 0.62 ALDH1A1 (0.39) MEN1KMT2A

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
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP claimed