SCHEMBL20156900

SCHEMBL20156900

C#C/C(C)=N/C(=C)N1CCN(C(=C)c2cc(CN3CCN(/C(C)=N/CC)CC3)ccc2C)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
FAAH O00519 1/20 0.32
LMNA P02545 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
THRB P10828 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PHGDH O43175 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
SCHEMBL20156898 0.89 HTT (0.36) HTTFAAHLMNAHRH3THRB
SCHEMBL20156907 0.85 HTT (0.38) HTTFAAHLMNAHRH3THRB
SCHEMBL20157535 0.83 HTT (0.36) HTTFAAHLMNAHRH3THRB
SCHEMBL20157061 0.82 HTT (0.35) HTTFAAHLMNAHRH3THRB
SCHEMBL20157337 0.81 FAAH (0.36) HTTFAAHLMNAHRH3ALDH1A1
SCHEMBL20157301 0.79 HTT (0.35) HTTFAAHLMNAHRH3THRB
SCHEMBL20156910 0.79 HTT (0.34) HTTFAAHLMNAHRH3THRB
SCHEMBL20157293 0.75 HTT (0.36) HTTFAAHLMNAHRH3THRB
SCHEMBL20156890 0.74 FAAH (0.32) HTTFAAHLMNAHRH3THRB
SCHEMBL20157531 0.73 FAAH (0.39) HTTFAAHLMNAHRH3THRB

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