SCHEMBL20156907

SCHEMBL20156907

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
FAAH O00519 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PHGDH O43175 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33

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 0.90 HTT (0.36) HTTFAAHHRH3LMNASMN1; SMN2
SCHEMBL20157061 0.88 HTT (0.35) HTTFAAHHRH3LMNASMN1; SMN2
SCHEMBL20157293 0.87 HTT (0.36) HTTFAAHHRH3LMNASMN1; SMN2
SCHEMBL20157337 0.87 FAAH (0.36) HTTFAAHHRH3LMNAALDH1A1
SCHEMBL20157535 0.87 HTT (0.36) HTTFAAHHRH3LMNASMN1; SMN2
SCHEMBL20156900 0.85 HTT (0.34) HTTFAAHHRH3LMNASMN1; SMN2
SCHEMBL20157301 0.85 HTT (0.35) HTTFAAHHRH3LMNASMN1; SMN2
SCHEMBL20157226 0.78 ALDH1A1 (0.34) HTTFAAHLMNASMN1; SMN2ALDH1A1
SCHEMBL20156910 0.78 HTT (0.34) HTTFAAHHRH3LMNASMN1; SMN2
SCHEMBL20157315 0.78 CYP1A2 (0.32) SMN1; SMN2ALDH1A1PHGDHPOLBKMT2A

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