SCHEMBL28848140

SCHEMBL28848140

CO[Si](OC)(OC)C(CCCCN)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.47
HTR2A P28223 1/20 0.47
SLC7A5 Q01650 10/20 0.43
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
MAOA P21397 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
SCHEMBL2367821 0.95 HRH1 (0.53) HRH1HTR2ASLC7A5CYP1A2CYP3A4
SCHEMBL37638 0.88 HRH1 (0.50) HRH1HTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL28128615 0.86 HRH1 (0.48) HRH1HTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL16293299 0.85 SIGMAR1 (0.39) HTR2A
SCHEMBL28165162 0.84 HRH1 (0.44) HRH1HTR2ASLC7A5CYP1A2CYP3A4
SCHEMBL9398012 0.83 HTR2A (0.40) HTR2A
SCHEMBL18979277 0.83 HTR2A (0.40) HTR2A
SCHEMBL18979315 0.83 HTR2A (0.40) HTR2A
SCHEMBL9395955 0.83 HTR2A (0.40) HTR2A
SCHEMBL9398133 0.83 HTR2A (0.40) HTR2A

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-105324407-B Active energy ray-curable composition 株式会社钟化 2017-07-28 CN disclosed