SCHEMBL20159010

SCHEMBL20159010

Cn1cc(CNC2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
POLB P06746 4/20 0.44
MTOR P42345 1/20 0.43
RPTOR Q8N122 1/20 0.43
MLST8 Q9BVC4 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.41
USP2 O75604 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL20159115 0.84 MTOR (0.55) PTGS1PTGS2POLBMTORRPTOR
SCHEMBL20159006 0.81 CHRM4 (0.47) PTGS1PTGS2TP53KDM4E
SCHEMBL20159066 0.78 MTOR (0.45) PTGS1PTGS2POLBMTORRPTOR
SCHEMBL20159024 0.76 MTOR (0.64) POLBMTORRPTORMLST8
SCHEMBL20159009 0.76 PTGS1 (0.46) PTGS1PTGS2POLBMTORRPTOR
SCHEMBL20159008 0.76 NPY2R (0.51) PTGS1PTGS2POLBMTORRPTOR
SCHEMBL20159286 0.76 MTOR (0.51) POLBMTORRPTORMLST8LMNA
SCHEMBL20159079 0.74 MTOR (0.52) POLBMTORRPTORMLST8LMNA
SCHEMBL20159109 0.72 MTOR (0.50) PTGS1PTGS2MTORRPTORMLST8
SCHEMBL20140500 0.71 MTOR (0.67) PTGS1PTGS2MTORRPTORMLST8

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