SCHEMBL20157103

SCHEMBL20157103

C=C(c1cc(CN(CC)CC)ccc1C)[C@@H](C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
ACHE P22303 4/20 0.36
BCHE P06276 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
HTR5A P47898 1/20 0.32
HTR6 P50406 1/20 0.32
AOC3 Q16853 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
APEX1 P27695 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
SCHEMBL14456485 0.74 HDAC8 (0.45) HRH3HDAC8HDAC6ACHEAOC3
SCHEMBL24831135 0.70 HRH3 (0.56) HRH3HDAC8HDAC6ACHEHTR1A
SCHEMBL17481523 0.70 HRH3 (0.50) HRH3HDAC8HDAC6ACHEBCHE
SCHEMBL20157104 0.69 HRH3 (0.47) HRH3BCHEHTR1AHTR2CHTR2B
SCHEMBL17481522 0.66 ESR1 (0.59) HRH3HDAC8HDAC6ACHEBCHE
SCHEMBL8251560 0.66 HRH3 (0.50) HRH3HDAC8HDAC6KDM4EMEN1
SCHEMBL23222675 0.66
SCHEMBL14924466 0.64 HTR7 (0.52) HRH3ACHEBCHEHTR1AHTR2C
SCHEMBL7768079 0.63 HRH3 (0.84) HRH3HDAC8HDAC6
SCHEMBL27707407 0.63 SKP2 (0.55) HRH3HDAC8HDAC6ACHEHTR1A

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