SCHEMBL20139331

SCHEMBL20139331

Cc1c(C=O)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2C)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.43
MTOR P42345 1/20 0.40
RPTOR Q8N122 1/20 0.40
MLST8 Q9BVC4 1/20 0.40
CHRM4 P08173 1/20 0.40
SMO Q99835 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NAAA Q02083 2/20 0.38
LMNA P02545 2/20 0.38
NOTUM Q6P988 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20139330 1.00 FAAH (0.44) FAAHPTGDR2MTORRPTORMLST8
SCHEMBL20139783 0.89 SCD5 (0.44) FAAHPTGDR2MTORRPTORMLST8
SCHEMBL20140557 0.89 SCD5 (0.44) FAAHPTGDR2MTORRPTORMLST8
SCHEMBL20139784 0.89 SCD5 (0.44) FAAHPTGDR2MTORRPTORMLST8
SCHEMBL20159012 0.74 MTOR (0.72) PTGDR2MTORRPTORMLST8CHRM4
SCHEMBL17324966 0.74 FAAH (0.53) FAAHPTGDR2CHRM4SMOMAPK1
SCHEMBL9959713 0.74 NOTUM (0.54) FAAHPTGDR2CHRM4SMOMAPK1
SCHEMBL20159285 0.73 MTOR (0.51) FAAHPTGDR2MTORRPTORMLST8
SCHEMBL20158920 0.73 MTOR (0.51) FAAHPTGDR2MTORRPTORMLST8
SCHEMBL20140654 0.72 MTOR (0.68) PTGDR2MTORRPTORMLST8CHRM4

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed