SCHEMBL20157271

SCHEMBL20157271

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
FAAH O00519 1/20 0.35
HTT P42858 1/20 0.34
LMNA P02545 3/20 0.33
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 0.32
KMT2A Q03164 1/20 0.32
GPR183 P32249 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
SCHEMBL20157272 0.88 MC4R (0.38) MC4RMC5RFAAHHTTLMNA
SCHEMBL20157301 0.85 HTT (0.35) MC4RMC5RFAAHHTTLMNA
SCHEMBL20157073 0.82 MC4R (0.37) MC4RMC5RFAAHHTTLMNA
SCHEMBL20157531 0.82 FAAH (0.39) MC4RMC5RFAAHHTTLMNA
SCHEMBL20157294 0.77 MC4R (0.36) MC4RMC5RFAAHHTTLMNA
SCHEMBL20157028 0.76 FAAH (0.35) MC4RMC5RFAAHHTTLMNA
SCHEMBL20157318 0.75 ALDH1A1 (0.35) MC4RMC5RFAAHHTTLMNA
SCHEMBL20157293 0.75 HTT (0.36) MC4RMC5RFAAHHTTLMNA
SCHEMBL20157207 0.75 HTT (0.34) MC4RMC5RFAAHHTTLMNA
SCHEMBL20156903 0.74 HTT (0.35) MC4RMC5RFAAHHTTLMNA

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