SCHEMBL28165162

SCHEMBL28165162

CCO[Si](OCC)(OCC)C(CCCCN)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.44
HTR2A P28223 1/20 0.44
SLC7A5 Q01650 10/20 0.44
SLC6A2 P23975 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAOA P21397 1/20 0.34

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
SCHEMBL28165510 0.98 HRH1 (0.43) HRH1HTR2ASLC7A5SLC6A2SIGMAR1
SCHEMBL4324150 0.89 HRH1 (0.47) HRH1HTR2ASLC7A5SLC6A2CYP1A2
SCHEMBL28899879 0.86 HTR2A (0.39) HTR2ASIGMAR1
SCHEMBL28788341 0.86 HTR2A (0.39) HTR2ASIGMAR1
SCHEMBL28848140 0.84 HRH1 (0.47) HRH1HTR2ASLC7A5CYP1A2CYP3A4
SCHEMBL27943150 0.82 LMNA (0.33) HRH1HTR2ASLC6A2SIGMAR1SLC6A4
SCHEMBL28870316 0.82 AOC3 (0.39) HRH1HTR2ASLC6A2SIGMAR1CYP1A2
SCHEMBL28165518 0.82 TAAR1 (0.44) HRH1HTR2ASLC6A2CYP1A2CYP3A4
SCHEMBL2367821 0.79 HRH1 (0.53) HRH1HTR2ASLC7A5CYP1A2CYP3A4
SCHEMBL20658076 0.78 LMNA (0.42) HRH1HTR2A

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