SCHEMBL20157337

SCHEMBL20157337

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
HTT P42858 2/20 0.36
HRH3 Q9Y5N1 2/20 0.34
GPR183 P32249 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20156907 0.87 HTT (0.38) FAAHHTTHRH3ALDH1A1LMNA
SCHEMBL20157535 0.86 HTT (0.36) FAAHHTTHRH3GPR183PDCD1
SCHEMBL20156898 0.85 HTT (0.36) FAAHHTTHRH3ALDH1A1LMNA
SCHEMBL20157301 0.84 HTT (0.35) FAAHHTTHRH3GPR183ALDH1A1
SCHEMBL20157061 0.83 HTT (0.35) FAAHHTTHRH3ALDH1A1KDM4E
SCHEMBL20157031 0.81 HTT (0.35) FAAHHTTHRH3GPR183L3MBTL1
SCHEMBL20157073 0.81 MC4R (0.37) FAAHHTTHRH3GPR183PDCD1
SCHEMBL20156900 0.81 HTT (0.34) FAAHHTTHRH3ALDH1A1LMNA
SCHEMBL20157531 0.81 FAAH (0.39) FAAHHTTHRH3L3MBTL1ALDH1A1
SCHEMBL20157293 0.80 HTT (0.36) FAAHHTTHRH3GPR183ALDH1A1

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