SCHEMBL9015953

SCHEMBL9015953

CCN(CC)C(CNc1ccccc1)N(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
DNM1 Q05193 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36

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
SCHEMBL11046011 0.72 MAPT (0.48) MAPTALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL2103221 0.72 PGR (0.35) MAPTALDH1A1PGRADRA2AADRA2B
SCHEMBL182877 0.72 MAPT (0.52) MAPTALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL489425 0.71 MAPT (0.47) MAPTALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL31479884 0.71 KAT2B (0.48) MAPTALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL24322415 0.71 MAPT (0.56) MAPTALDH1A1HTTSMN1; SMN2KDM4E
Iodide SCHEMBL29028129 0.70 MAPT (0.50) MAPTALDH1A1HTTSMN1; SMN2L3MBTL1
Ammonia Solution, Strong SCHEMBL6702357 0.70 MAPT (0.50) MAPTALDH1A1HTTSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL17710400 0.70 MAPT (0.50) MAPTALDH1A1HTTSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL17710427 0.69 MAPT (0.46) MAPTALDH1A1HTTSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441222-B1 Process and electrode system for determining an analyte or an oxidoreductase as well as suitable compounds BOEHRINGER MANNHEIM GMBH (DE) 1996-12-18 EP disclosed
US-5286362-A Reducible substance is enzymatically reduced and oxidized at the electrode; substance formed by oxidation is different from the reducible substance used initially BOEHRINGER MANNHEIM GMBH (DE) 1994-02-15 US disclosed
US-5122244-A Having a reducible nitroso or oxime compound to transfer electrons leading to a signal and form an aromatic amine oxidizable to a compound different from the original; low voltage BOEHRINGER MANNHEIM GMBH (DE) 1992-06-16 US disclosed
EP-0441222-A2 Process and electrode system for determining an analyte or an oxidoreductase as well as suitable compounds Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed