SCHEMBL20157210

SCHEMBL20157210

C=C/C=C(\C)N1CCN(Cc2ccc(C)c(C(=O)N3CCN(/C(N)=C/C=C)CC3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FAAH O00519 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL20157036 0.86 HTT (0.43) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL20157062 0.84 FAAH (0.39) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL20157027 0.83 HTT (0.38) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL20157073 0.83 MC4R (0.37) ALDH1A1HTTKMT2AFAAHHRH3
SCHEMBL20157337 0.75 FAAH (0.36) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL20156905 0.75 HTT (0.42) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL20157272 0.74 MC4R (0.38) ALDH1A1HTTKMT2AFAAHHRH3
SCHEMBL20156901 0.74 HTT (0.41) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL20157328 0.73 HTT (0.40) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL20157029 0.72 ALDH1A1 (0.40) KDM4EALDH1A1HTTMEN1KMT2A

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