SCHEMBL20159005

SCHEMBL20159005

C[C@H]1CN(c2ccc(F)c(F)c2)CCN1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KHK P50053 2/20 0.48
BCL2A1 Q16548 2/20 0.43
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTR2C P28335 1/20 0.39
ACACB O00763 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MLNR O43193 2/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
GHSR Q92847 3/20 0.37

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
SCHEMBL8110875 1.00 MAPT (0.49) MAPTKHKBCL2A1HSD11B1ALDH1A1
SCHEMBL20158997 0.88 KHK (0.49) MAPTKHKBCL2A1HSD11B1ALDH1A1
SCHEMBL8106618 0.88 KHK (0.49) MAPTKHKBCL2A1HSD11B1ALDH1A1
SCHEMBL31084546 0.86 MAPT (0.46) MAPTKHKBCL2A1HSD11B1ALDH1A1
SCHEMBL8108416 0.86 BCL2A1 (0.52) MAPTKHKBCL2A1HSD11B1ALDH1A1
SCHEMBL8108460 0.86 BCL2A1 (0.55) MAPTKHKBCL2A1HSD11B1ALDH1A1
SCHEMBL28283045 0.86 MAPT (0.46) MAPTKHKBCL2A1HSD11B1ALDH1A1
SCHEMBL5270098 0.84 TLR9 (0.47) MAPTKHKBCL2A1ACACBTLR9
SCHEMBL2245477 0.84 TLR9 (0.47) MAPTKHKBCL2A1ACACBTLR9
SCHEMBL27660899 0.84 MAPT (0.44) MAPTKHKBCL2A1HSD11B1ALDH1A1

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