SCHEMBL20000036

SCHEMBL20000036

C[Si](C)(CCCN)O[Si](O[Si](C)(C)CCCN)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
KIF11 P52732 3/20 0.32
KCNH2 Q12809 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL12546076 0.98 MAOA (0.33) MAOAHTR2AHRH1KIF11KCNH2
SCHEMBL13878406 0.97 MAOA (0.32) MAOAHTR2AHRH1KIF11KCNH2
SCHEMBL676715 0.94 MAOA (0.31) MAOAHTR2AHRH1
SCHEMBL13100638 0.92 HTR2A (0.33) MAOAHTR2AHRH1
SCHEMBL15077869 0.91
SCHEMBL18179461 0.89 TAAR1 (0.32) HTR2ATAAR1KDM4E
SCHEMBL20000047 0.88
SCHEMBL20565391 0.87 MAOA (0.35) MAOAHTR2AHRH1KIF11KCNH2
SCHEMBL1240249 0.86 MAOA (0.34) MAOAHTR2AHRH1KIF11KCNH2
SCHEMBL26017954 0.85 HTR2A (0.30) HTR2AHRH1

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-20180086874-A1 SILICONE-MODIFIED POLYURETHANE-BASED FIBER AND METHOD FOR MANUFACTURING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 US disclosed