SCHEMBL12377727

SCHEMBL12377727

COc1cc(N(C)CCO)ccc1N=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYBB P04839 4/20 0.42
NOX4 Q9NPH5 4/20 0.42
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NTSR1 P30989 10/20 0.35
PLK1 P53350 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
SCHEMBL29752123 0.87 ALDH1A1 (0.43) L3MBTL1ALDH1A1
SCHEMBL179136 0.87 ALDH1A1 (0.43) L3MBTL1ALDH1A1
SCHEMBL24855527 0.85 ALDH1A1 (0.36) CYBBNOX4MTNR1AMTNR1BL3MBTL1
Hydrochloric Acid SCHEMBL564874 0.85 ALDH1A1 (0.42) L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL29361270 0.85 ALDH1A1 (0.42) L3MBTL1ALDH1A1
SCHEMBL11309184 0.79 ALDH1A1 (0.44) L3MBTL1ALDH1A1
SCHEMBL16003519 0.78 CYBB (0.42) CYBBNOX4MTNR1AMTNR1BALDH1A1
Hydrochloric Acid SCHEMBL11287024 0.78 ALDH1A1 (0.42) L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL9015911 0.78 L3MBTL1 (0.37) CYBBNOX4L3MBTL1ALDH1A1
SCHEMBL3720237 0.77 ALDH1A1 (0.47) CYBBNOX4MTNR1AMTNR1BALDH1A1

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-9594052-B2 Methods of failsafing electrochemical measurements of an analyte as well as devices, apparatuses and systems incorporating the same ROCHE DIABETES CARE, INC. (US) 2017-03-14 US disclosed
US-8008037-B2 Matrix composition with alkylphenazine quaternary salt and a nitrosoaniline ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2011-08-30 US disclosed