SCHEMBL16714870

SCHEMBL16714870

CO[Si](C)(C)CCCC1CCCCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
CYP2D6 P10635 4/20 0.35
CYP1A2 P05177 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MLNR O43193 1/20 0.35
ABCB11 O95342 1/20 0.35
EGFR P00533 1/20 0.35
FYN P06241 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL3912128 0.87 HRH3 (0.42) HRH3CYP2D6CYP1A2KMT2AMEN1
SCHEMBL3909852 0.85 HRH3 (0.43) HRH3CYP2D6CYP1A2KMT2AMEN1
SCHEMBL16714750 0.84 HRH3 (0.40) HRH3CYP2D6CYP1A2KMT2AMEN1
SCHEMBL3919056 0.81 HRH3 (0.37) HRH3CYP2D6CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3915264 0.79 CHRNA3 (0.40) HRH3CYP2D6CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3910190 0.79 HRH3 (0.40) HRH3CYP2D6CYP1A2KMT2AMEN1
SCHEMBL3911375 0.78 HRH3 (0.40) HRH3CYP2D6CYP1A2KMT2AMEN1
SCHEMBL3917853 0.77 HRH3 (0.41) HRH3CYP2D6CYP1A2KMT2AMEN1
SCHEMBL3910872 0.75 HRH3 (0.41) HRH3CYP2D6CYP1A2KMT2AMEN1
SCHEMBL16714759 0.75 MKNK1 (0.31)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862812-B2 Composition containing nitrogen-containing organoxysilane compound and method for making the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-01-09 US disclosed
EP-2876111-B1 Composition containing nitrogen-containing organoxysilane compound and method for making the same SHINETSU CHEMICAL CO (JP) 2017-09-20 EP disclosed
EP-2876111-A1 Composition containing nitrogen-containing organoxysilane compound and method for making the same Shin-Etsu Chemical Co., Ltd. (JP) 2015-05-27 EP disclosed
US-20150135996-A1 COMPOSITION CONTAINING NITROGEN-CONTAINING ORGANOXYSILANE COMPOUND AND METHOD FOR MAKING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-05-21 US disclosed