SCHEMBL5525178

SCHEMBL5525178

CO[SiH2]OC.NCC1CCNC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRB2 P47870 2/20 0.37
SLC6A12 P48065 2/20 0.37
SLC6A11 P48066 2/20 0.37
SLC6A13 Q9NSD5 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRR1 P24046 1/20 0.37
GABRA4 P48169 1/20 0.37
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HRH4 Q9H3N8 3/20 0.31
HRH3 Q9Y5N1 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
KCNH2 Q12809 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
SCHEMBL1489855 0.83
SCHEMBL1624245 0.83
SCHEMBL640611 0.83
Hydrochloric Acid SCHEMBL7009481 0.81
Hydrochloric Acid SCHEMBL17048462 0.81
Formic Acid Methyl Ester SCHEMBL28113386 0.79 SLC6A1 (0.44) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Glycine SCHEMBL10453883 0.79 SLC6A1 (0.49) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Formic Acid Methyl Ester SCHEMBL28112840 0.78 SLC6A1 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Formic Acid SCHEMBL28164474 0.72 SLC6A1 (0.53) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL20531231 0.72 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3

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
US-20070003492-A1 Porous silica having substance carried thereon KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2007-01-04 US disclosed
EP-1702886-A1 POROUS SILICA HAVING SUBSTANCE CARRIED THEREON Taiyo Kagaku Co., Ltd. (JP) 2006-09-20 EP disclosed