SCHEMBL20157294

SCHEMBL20157294

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
HTT P42858 2/20 0.34
FAAH O00519 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 4/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL20157031 0.90 HTT (0.35) MC4RMC5RHTTFAAHALDH1A1
SCHEMBL20157531 0.89 FAAH (0.39) MC4RMC5RHTTFAAHALDH1A1
SCHEMBL20157073 0.87 MC4R (0.37) MC4RMC5RHTTFAAHALDH1A1
SCHEMBL20157524 0.86
SCHEMBL20157293 0.83 HTT (0.36) MC4RMC5RHTTFAAHALDH1A1
SCHEMBL20156903 0.83 HTT (0.35) MC4RMC5RHTTFAAHALDH1A1
SCHEMBL20157028 0.82 FAAH (0.35) MC4RMC5RHTTFAAHALDH1A1
SCHEMBL20157272 0.82 MC4R (0.38) MC4RMC5RHTTFAAHALDH1A1
SCHEMBL20157318 0.82 ALDH1A1 (0.35) MC4RMC5RHTTFAAHALDH1A1
SCHEMBL20157226 0.81 ALDH1A1 (0.34) MC4RMC5RHTTFAAHALDH1A1

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