SCHEMBL30467136

SCHEMBL30467136

CC(C)(C)[Si](C)(C)OC[C@H](O)c1ccc(Cl)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.38
FFAR1 O14842 1/20 0.35
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 5/20 0.33
TRPV1 Q8NER1 1/20 0.33
APP P05067 1/20 0.33
GPR139 Q6DWJ6 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNH2 Q12809 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRB3 P13945 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL15229243 1.00 FAAH (0.38) FAAHFFAR1SLC6A2SLC6A4SLC6A3
SCHEMBL15261521 1.00 FAAH (0.38) FAAHFFAR1SLC6A2SLC6A4SLC6A3
SCHEMBL20134701 0.90 SLC6A2 (0.40) FAAHSLC6A2SLC6A4SLC6A3APP
SCHEMBL15229067 0.90 SLC6A2 (0.40) FAAHSLC6A2SLC6A4SLC6A3APP
SCHEMBL29234559 0.87 ADRB1 (0.37) FAAHAPPCYP2D6CYP1A2ADRB1
SCHEMBL15260808 0.87 FAAH (0.37) FAAHFFAR1SLC6A2SLC6A4SLC6A3
SCHEMBL20134702 0.87 FAAH (0.37) FAAHFFAR1SLC6A2SLC6A4SLC6A3
SCHEMBL18406256 0.85 SLC6A2 (0.34) FFAR1SLC6A2SLC6A4SLC6A3APP
SCHEMBL31165012 0.84 SLC6A4 (0.33) FFAR1SLC6A2SLC6A4SLC6A3GPR139
SCHEMBL8282768 0.84 PDE2A (0.32) CYP3A4CYP1A2ADRB1ADRA2AADRB3

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-111777594-B Method for preparing a medicament 基因泰克公司 2023-06-27 CN disclosed