SCHEMBL20139839

SCHEMBL20139839

C[C@H]1CN(c2ccc3[nH]cc(OC(=O)C(F)(F)F)c3c2)CCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KHK P50053 2/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
PMP22 Q01453 1/20 0.36
HSD11B1 P28845 1/20 0.35
HTR2C P28335 1/20 0.34
BCL2A1 Q16548 2/20 0.34
GHSR Q92847 2/20 0.34
MCHR1 Q99705 2/20 0.33
POLB P06746 1/20 0.33
PRKD3 O94806 1/20 0.33
ALOX15 P16050 1/20 0.33
OPRM1 P35372 1/20 0.33
CLK2 P49760 1/20 0.33

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
SCHEMBL20141712 0.78 HTR2C (0.39) KDM4EALDH1A1HPGDHSD17B10PMP22
Trifluoroacetic Acid SCHEMBL20139838 0.72 TRPV1 (0.41) MAPTKHKHSD11B1BCL2A1
SCHEMBL15557018 0.70 HPGD (0.46) MAPTKHKKDM4EALDH1A1HPGD
SCHEMBL28169823 0.68 HTR1D (0.49) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL4573855 0.68 BRPF1 (0.45) MAPTKHKTLR9TLR8TLR7
SCHEMBL3925907 0.67 SLC22A6 (0.64) ALDH1A1SLC22A6
SCHEMBL2252323 0.66 CHRM2 (0.42) MAPTKHKTLR9TLR8TLR7
SCHEMBL5274632 0.66 CHRM2 (0.42) MAPTKHKTLR9TLR8TLR7
SCHEMBL22802008 0.66 NPC1 (0.47) MAPTKHKALDH1A1HSD17B10BCL2A1
SCHEMBL3770301 0.66 NPC1 (0.47) MAPTKHKALDH1A1HSD17B10BCL2A1

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