SCHEMBL28042824

SCHEMBL28042824

CC(C)(C)C(=O)ON1CCN(c2ccc(C(F)(F)F)cc2Oc2ncccn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SRPK1 Q96SB4 7/20 0.37
FFAR2 O15552 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
PDGFRB P09619 1/20 0.36
MC4R P32245 1/20 0.36

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
SCHEMBL28042821 0.83 RXRA (0.46) MAPTHTTMEN1TSHRKMT2A
SCHEMBL28761804 0.79 SLC6A9 (0.45) MAPTHTTMEN1TSHRKMT2A
SCHEMBL27648774 0.79 PHGDH (0.46) MAPTHTTMEN1TSHRKMT2A
SCHEMBL28302825 0.78 ALDH1A1 (0.53) MAPTHTTMEN1TSHRKMT2A
SCHEMBL28858764 0.78 SRPK1 (0.42) MAPTTSHRALOX5APFEN1SRPK1
Tert-Butyl Formate SCHEMBL28042825 0.75 NCF1 (0.45) MAPTALOX5APFEN1HTR2C
SCHEMBL27981818 0.72 CA12 (0.54) MAPTHTTMEN1TSHRKMT2A
SCHEMBL27793409 0.71 POLB (0.47) MAPTMEN1TSHRKMT2ALMNA
SCHEMBL28001626 0.71 MGLL (0.51) MAPTHTTSMN1; SMN2
SCHEMBL27730809 0.69 MAPT (0.46) MAPTHTTMEN1TSHRKMT2A

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
CN-105461635-A Phenylpiperazine derivatives, using method thereof and uses of the derivatives RUYUAN YAO AUTONOMOUS COUNTY DAZHONG MEDICINE TRADE CO LTD 2016-04-06 CN disclosed