SCHEMBL28838293

SCHEMBL28838293

CN(C)CCCCCc1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
HTR1A P08908 1/20 0.51
MGLL Q99685 1/20 0.51
HTR2A P28223 2/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A4 P31645 2/20 0.47
MPO P05164 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
HSPA5 P11021 1/20 0.43

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
SCHEMBL9068508 0.98 SIGMAR1 (0.53) SIGMAR1HTR1AMGLLHTR2AHTR2C
SCHEMBL5134431 0.92 HTR2A (0.55) SIGMAR1HTR1AMGLLHTR2AHTR2C
SCHEMBL36797 0.84 HTR2A (0.65) HTR1AHTR2AHTR2CHTR2BMPO
SCHEMBL9670821 0.84 SIGMAR1 (0.63) SIGMAR1HTR2ASLC6A4TAAR1
SCHEMBL8400524 0.84 MGLL (0.66) HTR1AMGLLSLC6A4MPOTAAR1
SCHEMBL8401980 0.84 MGLL (0.66) HTR1AMGLLSLC6A4MPOTAAR1
SCHEMBL8398317 0.84 MGLL (0.66) HTR1AMGLLSLC6A4MPOTAAR1
SCHEMBL8401990 0.84 MGLL (0.66) HTR1AMGLLSLC6A4MPOTAAR1
SCHEMBL8402231 0.84 MGLL (0.66) HTR1AMGLLSLC6A4MPOTAAR1
SCHEMBL28176757 0.84 MGLL (0.66) HTR1AMGLLSLC6A4MPOTAAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459807-B Use of a lubricant composition for lubricating a dual clutch transmission 大众汽车有限公司 2019-04-09 CN disclosed
CN-106459807-A Use of a lubricant composition for lubricating a dual clutch transmission 大众汽车有限公司 2017-02-22 CN disclosed