SCHEMBL15544476

SCHEMBL15544476

COc1c(-c2ccc(CN3CCC4(CC3)CN(C3CC3)C(=O)CO4)c(F)c2)ccc2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.47
PDE4A P27815 6/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
BCHE P06276 1/20 0.36
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SSTR5 P35346 2/20 0.34
MLNR O43193 3/20 0.33
KDM1A O60341 1/20 0.33
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL15544224 0.91 FASN (0.47) FASNPDE4AJAK2JAK1JAK3
SCHEMBL15543589 0.89 FASN (0.45) FASNPDE4ABCHEMAPK1ALDH1A1
SCHEMBL14842076 0.84 FASN (0.65) FASNKDM1A
SCHEMBL14842084 0.84 FASN (0.43) FASNPDE4APDE4CPDE4D
SCHEMBL15543468 0.83 FASN (0.57) FASNKDM1A
SCHEMBL14720265 0.82 FASN (0.44) FASNPDE4AKDM1APDE4CPDE4D
SCHEMBL15582390 0.81 FASN (0.60) FASNJAK2SSTR5KDM1A
SCHEMBL15544405 0.81 FASN (0.49) FASNJAK2JAK1TYK2JAK3
SCHEMBL15581938 0.81 FASN (0.49) FASNALDH1A1SSTR5
SCHEMBL4542364 0.80 FASN (0.69) FASNPDE4AMAPK1ALDH1A1

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