SCHEMBL20156910

SCHEMBL20156910

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
FAAH O00519 1/20 0.33
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
RECQL P46063 1/20 0.30
PHGDH O43175 1/20 0.30
KMT2A Q03164 3/20 0.30
POLB P06746 2/20 0.30
MEN1 O00255 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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 0.88 HTT (0.36) HTTFAAHALDH1A1LMNAHRH3
SCHEMBL20157061 0.79 HTT (0.35) HTTFAAHALDH1A1KDM4ELMNA
SCHEMBL20156900 0.79 HTT (0.34) HTTFAAHALDH1A1LMNAHRH3
SCHEMBL20156907 0.78 HTT (0.38) HTTFAAHALDH1A1LMNAHRH3
SCHEMBL20157207 0.76 HTT (0.34) HTTFAAHALDH1A1KDM4ELMNA
SCHEMBL20157531 0.74 FAAH (0.39) HTTFAAHALDH1A1LMNAHRH3
SCHEMBL20157337 0.74 FAAH (0.36) HTTFAAHALDH1A1KDM4ELMNA
SCHEMBL20157535 0.74 HTT (0.36) HTTFAAHALDH1A1LMNAHRH3
SCHEMBL20156903 0.73 HTT (0.35) HTTFAAHALDH1A1LMNAHRH3
SCHEMBL20157301 0.72 HTT (0.35) HTTFAAHALDH1A1LMNAHRH3

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