SCHEMBL8804694

SCHEMBL8804694

NCCNCC(O[SiH3])c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
HRH1 P35367 2/20 0.40
HTR2A P28223 2/20 0.40
ALDH1A1 P00352 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 2/20 0.36
SLC7A5 Q01650 5/20 0.35
MEN1 O00255 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL1230770 0.79 GRIN1 (0.41) GRIN1GRIN2AHRH1HTR2AALDH1A1
SCHEMBL9768636 0.77 GRIN1 (0.70) GRIN1GRIN2AHRH1HTR2ATAAR1
SCHEMBL5704251 0.77 HRH1 (0.59) HRH1HTR2ATAAR1SLC6A4SLC7A5
SCHEMBL10631765 0.75 SLC7A5 (0.54) HRH1HTR2ASLC6A4SLC7A5SLC6A2
SCHEMBL28769672 0.73 GRIN1 (0.36) GRIN1GRIN2AHRH1HTR2AALDH1A1
SCHEMBL2185597 0.73 KDM4E (0.70) GRIN1GRIN2AALDH1A1KDM4EL3MBTL1
SCHEMBL16935732 0.73 GRIN1 (0.48) GRIN1GRIN2AHRH1HTR2AALDH1A1
SCHEMBL2938035 0.71 GRIN1 (0.71) GRIN1GRIN2AHRH1HTR2ATAAR1
SCHEMBL11381473 0.70 KDM4E (0.66) GRIN1GRIN2AALDH1A1KDM4EL3MBTL1
SCHEMBL21896763 0.70 KDM4E (0.66) GRIN1GRIN2AALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543303-B1 Hydrophilic hydrogels having a high swelling capacity HOECHST AG (DE) 1997-02-12 EP disclosed
US-5331059-A Absorbent materials, acrylic acid polymers crosslinked with diglycidyl phosphonates CASSELLA AKTIENGESELLSCHAFT (DE) 1994-07-19 US disclosed
EP-0543303-A1 Hydrophilic hydrogels having a high swelling capacity HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-26 EP disclosed