SCHEMBL20157535

SCHEMBL20157535

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
FAAH O00519 1/20 0.34
LMNA P02545 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.32
PHGDH O43175 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
MC4R P32245 1/20 0.31
MC5R P33032 1/20 0.31
GPR183 P32249 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL20156907 0.87 HTT (0.38) HTTFAAHLMNAHRH3THRB
SCHEMBL20157337 0.86 FAAH (0.36) HTTFAAHLMNAHRH3ALDH1A1
SCHEMBL20157028 0.85 FAAH (0.35) HTTFAAHLMNAHRH3THRB
SCHEMBL20156898 0.85 HTT (0.36) HTTFAAHLMNAHRH3THRB
SCHEMBL20157301 0.84 HTT (0.35) HTTFAAHLMNAHRH3THRB
SCHEMBL20157061 0.83 HTT (0.35) HTTFAAHLMNAHRH3THRB
SCHEMBL20156900 0.83 HTT (0.34) HTTFAAHLMNAHRH3THRB
SCHEMBL20157531 0.76 FAAH (0.39) HTTFAAHLMNAHRH3THRB
SCHEMBL20157293 0.76 HTT (0.36) HTTFAAHLMNAHRH3THRB
SCHEMBL20157031 0.75 HTT (0.35) 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