SCHEMBL20139830

SCHEMBL20139830

O=C(O)N1CCN(c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
CHRM4 P08173 2/20 0.44
CHRM2 P08172 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK1 P28482 4/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 3/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL20555936 0.84 HTR1A (0.53) HTTCHRM4CHRM2CA12CA1
SCHEMBL5390221 0.83 CA12 (0.46) HTTCA12CA1CA2CA9
SCHEMBL12684798 0.80 KDM4E (0.64) HTTMAPK1LMNATSHRALDH1A1
SCHEMBL28094905 0.78 LMNA (0.43) HTTCA12CA1CA2CA9
SCHEMBL11297155 0.78 IP6K1 (0.49) HTTCA12CA1CA2CA9
SCHEMBL15066929 0.78 HTT (0.38) HTTCA12CA1CA2CA9
SCHEMBL27643076 0.77 SLC6A9 (0.52) HTTCA12CA1CA2CA9
SCHEMBL5414205 0.77 CHRM2 (0.52) HTTCHRM4CHRM2CA12CA1
SCHEMBL3760556 0.76 MAPT (0.43) HTTCA12CA1CA2CA9
SCHEMBL2229043 0.76 ADAMTS5 (0.42) 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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed