SCHEMBL20139941

SCHEMBL20139941

Cc1cc(C)c(C(=O)C2CCN(c3ccc(F)cn3)CC2)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
NPY2R P49146 1/20 0.52
HRH3 Q9Y5N1 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
PRKAA2 P54646 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SCD O00767 4/20 0.41
CHRM4 P08173 1/20 0.41
ABL1 P00519 1/20 0.41
LMNA P02545 1/20 0.41
PPARG P37231 1/20 0.41
MELK Q14680 1/20 0.40
HSD11B1 P28845 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDO2 P48775 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
SCHEMBL20140074 0.85 MAPT (0.50) ALDH1A1MAPTNPY2RHRH3L3MBTL1
SCHEMBL20140860 0.84 MAPT (0.49) ALDH1A1MAPTNPY2RHRH3L3MBTL1
SCHEMBL16769733 0.76 HRH3 (0.55) ALDH1A1MAPTNPY2RHRH3L3MBTL1
SCHEMBL326799 0.74 LMNA (0.55) ALDH1A1MAPTNPY2RHRH3L3MBTL1
SCHEMBL20139878 0.74 PRKAA2 (0.43) ALDH1A1MAPTNPY2RPRKAA2CHRM4
SCHEMBL18248410 0.73 KDM4E (0.60) ALDH1A1MAPTNPY2RHRH3L3MBTL1
SCHEMBL326931 0.72 L3MBTL1 (0.58) ALDH1A1MAPTHRH3L3MBTL1POLB
SCHEMBL1999758 0.71 HRH3 (0.51) HRH3GPR119CHRM4TDO2
SCHEMBL20729339 0.70 CHRM4 (0.54) ALDH1A1MAPTNPY2RHRH3L3MBTL1
SCHEMBL18101815 0.70 NOTUM (0.62) HRH3GPR119KDM4ECHRM4ABL1

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