SCHEMBL27765112

SCHEMBL27765112

CC(N)Cc1ccc(C[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.52
SLC6A2 P23975 5/20 0.52
SLC6A3 Q01959 3/20 0.52
SLC6A4 P31645 4/20 0.50
MAOA P21397 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50

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
SCHEMBL8986807 0.81 LOXL2 (0.62) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL11601065 0.81 LOXL2 (0.62) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL5264530 0.81 LOXL2 (0.62) TAAR1SLC6A2SLC6A3SLC6A4MAOA
Hydrochloric Acid SCHEMBL6849318 0.79 LOXL2 (0.60) TAAR1SLC6A2SLC6A3SLC6A4MAOA
Hydrochloric Acid SCHEMBL6849321 0.79 LOXL2 (0.60) TAAR1SLC6A2SLC6A3SLC6A4MAOA
Hydrochloric Acid SCHEMBL9116903 0.79 LOXL2 (0.60) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL10872755 0.78 TAAR1 (0.76) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL10872752 0.78 TAAR1 (0.76) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL9322428 0.78 LOXL2 (0.42)
SCHEMBL11411468 0.77 LOXL2 (0.61) TAAR1

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
CN-101597233-A Not with the methyl amphetamine monoclonal antibody kit of ephedrine and pseudoephedrine cross reaction LIBO ZENG (CN) 2009-12-09 CN claimed
CN-101597233-B Methamphetamine monoclonal antibody kit having no cross-reactions with ephedrine and pseudoephedrine ZENG LIBO 2014-06-25 CN disclosed
CN-101597233-A Not with the methyl amphetamine monoclonal antibody kit of ephedrine and pseudoephedrine cross reaction LIBO ZENG (CN) 2009-12-09 CN disclosed