SCHEMBL20134701

SCHEMBL20134701

CC(C)(C)[Si](C)(C)OCC(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
FAAH O00519 2/20 0.39
ADRB1 P08588 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRB3 P13945 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
LMNA P02545 2/20 0.35
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL15229067 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL15261521 0.90 FAAH (0.38) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL30467136 0.90 FAAH (0.38) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL15229243 0.90 FAAH (0.38) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL29234559 0.89 ADRB1 (0.37) CYP2D6FAAHADRB1ADRA2AADRB3
SCHEMBL8251230 0.85 ADRB1 (0.35) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL5425144 0.84 AOC3 (0.42) LMNASMN1; SMN2
SCHEMBL1154778 0.84 AOC3 (0.42) LMNASMN1; SMN2
SCHEMBL12497436 0.83 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL28646813 0.83 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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-106349217-B Serine/threonine kinase inhibitors 阵列生物制药公司 2020-08-28 CN disclosed
EP-3321262-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2018-05-16 EP disclosed