SCHEMBL28073223

SCHEMBL28073223

CCO[Si](CCc1ccccc1)(OCC)OCCCNCCN.CO[Si](C)(CCCNCCN)OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
SIGMAR1 Q99720 5/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 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
SCHEMBL37400 0.91 DRD2 (0.44) DRD2DRD4DRD3SIGMAR1CHRNB2
SCHEMBL28789259 0.88 SIGMAR1 (0.39) DRD2DRD4DRD3SIGMAR1MEN1
SCHEMBL21060574 0.87 SIGMAR1 (0.46) DRD2DRD4DRD3SIGMAR1CHRNB2
SCHEMBL28074678 0.87 CHRNB2 (0.41) DRD2DRD4DRD3SIGMAR1CHRNB2
SCHEMBL447454 0.85 DRD2 (0.46) DRD2DRD4DRD3SIGMAR1MEN1
SCHEMBL28175344 0.81 SIGMAR1 (0.44) DRD2DRD4DRD3SIGMAR1
SCHEMBL21060554 0.80 SIGMAR1 (0.49) DRD2DRD4DRD3SIGMAR1CHRNB2
SCHEMBL4440549 0.79 CA12 (0.34) MEN1KMT2AKDM4ELMNA
SCHEMBL29065761 0.79 CA12 (0.34) MEN1KMT2AKDM4ELMNA
SCHEMBL21060551 0.79 SIGMAR1 (0.48) DRD2DRD4DRD3SIGMAR1CHRNB2

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-105814157-A Siloxane nanoparticle coating useful for antireflection 3M创新有限公司 2016-07-27 CN disclosed