SCHEMBL20157293

SCHEMBL20157293

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
FAAH O00519 1/20 0.34
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
LMNA P02545 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.32
PHGDH O43175 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR183 P32249 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
SCHEMBL20157531 0.92 FAAH (0.39) HTTFAAHMC4RMC5RLMNA
SCHEMBL20157226 0.91 ALDH1A1 (0.34) HTTFAAHMC4RMC5RLMNA
SCHEMBL20157031 0.89 HTT (0.35) HTTFAAHMC4RMC5RLMNA
SCHEMBL20156907 0.87 HTT (0.38) HTTFAAHMC4RMC5RLMNA
SCHEMBL20156903 0.85 HTT (0.35) HTTFAAHMC4RMC5RLMNA
SCHEMBL20157246 0.85 CYP1A2 (0.30) POLB
SCHEMBL20157028 0.85 FAAH (0.35) HTTFAAHMC4RMC5RLMNA
SCHEMBL20157318 0.84 ALDH1A1 (0.35) HTTFAAHMC4RMC5RLMNA
SCHEMBL20157294 0.83 MC4R (0.36) HTTFAAHMC4RMC5RLMNA
SCHEMBL20157073 0.83 MC4R (0.37) HTTFAAHMC4RMC5RLMNA

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