SCHEMBL321029

SCHEMBL321029

CCO[Si]1(CC)CCCOCC(CN2CCN(C)CC2)O1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 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
SCHEMBL302241 0.91
SCHEMBL302108 0.89 HRH3 (0.32) HTR2AHTR2CHRH1
SCHEMBL301734 0.84 HRH3 (0.30) HTR2AHTR2CHRH1
SCHEMBL301478 0.82 HRH3 (0.31)
SCHEMBL320684 0.81
SCHEMBL301474 0.81 HTR2A (0.37) HTR2AHTR2CHRH1
SCHEMBL303012 0.78 HTR2A (0.33) HTR2AHTR2CHRH1
SCHEMBL301451 0.77 HRH3 (0.34) HTR2AHTR2CHRH1
SCHEMBL21049518 0.77 HRH3 (0.34) HTR2AHTR2CHRH1
SCHEMBL301481 0.76 HRH3 (0.33) HTR2AHTR2CHRH1

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
US-20120006229-A1 AQUEOUS SOLUTION OF PIPERAZINYL-CONTAINING SILANOL COMPOUND AND MAKING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-12 US disclosed