SCHEMBL20157061

SCHEMBL20157061

C=C(c1cc(CN2CCN(/C(C)=N/CC)CC2)ccc1C)N1CCN(C(=N)N=C(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
FAAH O00519 1/20 0.34
LMNA P02545 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RECQL P46063 1/20 0.31
PHGDH O43175 1/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 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
SCHEMBL20156898 0.90 HTT (0.36) HTTMC4RMC5RFAAHLMNA
SCHEMBL20156907 0.88 HTT (0.38) HTTMC4RMC5RFAAHLMNA
SCHEMBL20157337 0.83 FAAH (0.36) HTTFAAHLMNAHRH3ALDH1A1
SCHEMBL20157535 0.83 HTT (0.36) HTTMC4RMC5RFAAHLMNA
SCHEMBL20156900 0.82 HTT (0.34) HTTFAAHLMNAHRH3ALDH1A1
SCHEMBL20157301 0.82 HTT (0.35) HTTMC4RMC5RFAAHLMNA
SCHEMBL20156910 0.79 HTT (0.34) HTTFAAHLMNAHRH3ALDH1A1
SCHEMBL20157293 0.75 HTT (0.36) HTTMC4RMC5RFAAHLMNA
SCHEMBL20157031 0.74 HTT (0.35) HTTMC4RMC5RFAAHLMNA
SCHEMBL20157315 0.74 CYP1A2 (0.32) ALDH1A1KDM4ESMN1; SMN2PHGDHKMT2A

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