SCHEMBL20157233

SCHEMBL20157233

C=C(C)NC(=O)N1CCN(C(=C)c2cc(CN3CCN(/C(C)=C/CC)CC3)c(C)cc2C)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.33
POLB P06746 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
CNR2 P34972 2/20 0.33
FAAH O00519 3/20 0.32
GRIN2B Q13224 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 3/20 0.31
ICAM1 P05362 1/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 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
SCHEMBL20156884 0.91 CYP1A2 (0.34) PLA2G1BPOLBATG4BCNR2GRIN2B
SCHEMBL20157338 0.88 POLB (0.33) PLA2G1BPOLBATG4BCNR2GRIN2B
SCHEMBL20157310 0.86 SMN1; SMN2 (0.32) PLA2G1BPOLBATG4BALDH1A1KDM4E
SCHEMBL20157313 0.85 CYP1A2 (0.32) PLA2G1BPOLBATG4BGRIN2BMEN1
SCHEMBL20157224 0.85 CYP1A2 (0.31) PLA2G1BPOLBATG4BMAPK1
SCHEMBL20157030 0.85 CYP1A2 (0.31) PLA2G1BPOLBATG4BALDH1A1KDM4E
SCHEMBL20157544 0.84 CYP1A2 (0.31) PLA2G1BPOLBATG4BMAPK1
SCHEMBL20157072 0.84 CYP1A2 (0.31) PLA2G1BPOLBATG4BMAPK1
SCHEMBL20157536 0.84 CYP1A2 (0.31) PLA2G1BPOLBATG4BMAPK1
SCHEMBL20157299 0.84 CYP1A2 (0.31) PLA2G1BPOLBATG4BMAPK1

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