SCHEMBL21728085

SCHEMBL21728085

C=CCCc1cc(Br)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
PYCR1 P32322 2/20 0.36
CHRNA7 P36544 3/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 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
SCHEMBL9245228 0.81 GABRA1 (0.41) MEN1HTTKMT2APYCR1CHRNA7
SCHEMBL7734929 0.81 TAAR1 (0.57) MEN1HTTKMT2ATAAR1ALDH1A1
SCHEMBL21728222 0.78 CYP3A4 (0.39) MEN1HTTKMT2ATAAR1ALDH1A1
SCHEMBL2296133 0.78 CYP3A4 (0.38) MEN1HTTKMT2ATAAR1OPRM1
SCHEMBL14222335 0.76 TAAR1 (0.41) MEN1KMT2ATAAR1PYCR1CHRNA7
SCHEMBL6911967 0.75 TAAR1 (0.64) TAAR1CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL3406483 0.75 TAAR1 (0.39) MEN1KMT2ATAAR1PYCR1ALDH1A1
SCHEMBL3406480 0.75 TAAR1 (0.39) MEN1KMT2ATAAR1PYCR1ALDH1A1
SCHEMBL29781225 0.75 TAAR1 (0.39) MEN1KMT2ATAAR1PYCR1ALDH1A1
SCHEMBL4951267 0.75 PYCR1 (0.45) TAAR1PYCR1ALDH1A1MAPK1RAPGEF4

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
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed