SCHEMBL28301540

SCHEMBL28301540

CCCCC[Si](OC)(OC)C1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.42
HTR2A P28223 1/20 0.35
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL2339323 0.77 ACHE (0.45) ACHEBCHEHTR2ACHRM2HTR1A
SCHEMBL7576879 0.77 ACHE (0.45) ACHEBCHEHTR2ACHRM2HTR1A
SCHEMBL7197597 0.74 ACHE (0.49) ACHEBCHEHTR2ACHRM2HTR1A
SCHEMBL4034020 0.73 ACHE (0.47) ACHEBCHEHTR2ACHRM2HTR1A
SCHEMBL705065 0.72 ACHE (0.38) ACHEBCHECHRM2HTR1AADRA2A
SCHEMBL7577807 0.70 ACHE (0.43) ACHEBCHEHTR2ACHRM2HTR1A
SCHEMBL1985428 0.69 GPR3 (0.41) ACHEBCHEHTR2ACHRM2HTR1A
SCHEMBL1906187 0.69 GPR3 (0.41) ACHEBCHEHTR2ACHRM2HTR1A
SCHEMBL877438 0.67 HTR2A (0.56) ACHEBCHEHTR2A
SCHEMBL6060915 0.66 HTR2A (0.54) ACHEBCHEHTR2A

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-109790238-A Non-phthalate donors for polyolefin catalysts 格雷斯公司 2019-05-21 CN disclosed