SCHEMBL15544262

SCHEMBL15544262

O=C1CNC2(CCC(Cc3ccc(-c4ccc5cccnc5c4)c(F)c3F)CC2)CC1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FASN P49327 6/20 0.35
MAPK14 Q16539 1/20 0.33
GSK3B P49841 1/20 0.32
KDM1A O60341 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
CHRNA7 P36544 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
SCHEMBL15544558 0.88 FASN (0.38) FASNMAPK14GSK3BKDM1ADDB1
SCHEMBL15543695 0.85 FASN (0.39) FASNMAPK14GSK3BKDM1ADDB1
SCHEMBL15559477 0.83 FASN (0.38) FASNGSK3BDDB1CRBNCHRNA7
SCHEMBL15543968 0.83 CHRM1 (0.40) FASNGSK3B
SCHEMBL15544455 0.82 FASN (0.34) FASN
SCHEMBL15543763 0.82 FASN (0.39) FASN
SCHEMBL15554637 0.79 FASN (0.36) FASNMAPK14GSK3BDDB1CRBN
SCHEMBL15543841 0.78 FASN (0.38) FASN
SCHEMBL15556001 0.78 CTSK (0.31)
SCHEMBL15544119 0.76 FASN (0.37) FASNGSK3BKDM1ADDB1CRBN

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-2014008223-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-01-09 WO disclosed