SCHEMBL20157531

SCHEMBL20157531

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
HTT P42858 1/20 0.38
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
PHGDH O43175 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL20157028 0.93 FAAH (0.35) FAAHHTTMC4RMC5RHRH3
SCHEMBL20157318 0.92 ALDH1A1 (0.35) FAAHHTTMC4RMC5RLMNA
SCHEMBL20157293 0.92 HTT (0.36) FAAHHTTMC4RMC5RHRH3
SCHEMBL20157031 0.91 HTT (0.35) FAAHHTTMC4RMC5RHRH3
SCHEMBL20157073 0.91 MC4R (0.37) FAAHHTTMC4RMC5RHRH3
SCHEMBL20156903 0.91 HTT (0.35) FAAHHTTMC4RMC5RHRH3
SCHEMBL20157294 0.89 MC4R (0.36) FAAHHTTMC4RMC5RHRH3
SCHEMBL20157226 0.89 ALDH1A1 (0.34) FAAHHTTMC4RMC5RLMNA
SCHEMBL20156890 0.88 FAAH (0.32) FAAHHTTMC4RMC5RHRH3
SCHEMBL20157272 0.88 MC4R (0.38) FAAHHTTMC4RMC5RHRH3

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