SCHEMBL27765113

SCHEMBL27765113

CC(Cc1ccccc1)N(C)[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2B P18089 2/20 0.53
▸ ADRA2C P18825 2/20 0.53
▸ ADRA1A P35348 2/20 0.53
▸ OPRK1 P41145 2/20 0.53
▸ SLC6A2 P23975 2/20 0.53
▸ SLC6A4 P31645 2/20 0.53
▸ SLC6A3 Q01959 2/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ SIGMAR1 Q99720 4/20 0.50
▸ MAOB P27338 6/20 0.47
▸ MAOA P21397 5/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ SNCA P37840 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6013489 0.78 CPA1 (0.51) CYP1A2PKMCPA1HPGD
SCHEMBL6013488 0.78 CPA1 (0.51) CYP1A2PKMCPA1HPGD
Dimetamfetamine SCHEMBL2110135 0.74 SLC6A4 (0.67) ADRA2BADRA2CADRA1AOPRK1SLC6A2
Dimetamfetamine SCHEMBL12203605 0.74 SLC6A4 (0.67) ADRA2BADRA2CADRA1AOPRK1SLC6A2
Dimetamfetamine SCHEMBL727641 0.74 SLC6A4 (0.67) ADRA2BADRA2CADRA1AOPRK1SLC6A2
SCHEMBL19285766 0.74 MAOB (0.69) ADRA2BADRA2CADRA1AOPRK1SLC6A2
SCHEMBL3289735 0.73 CPA1 (0.49) SLC6A2SLC6A4SLC6A3SIGMAR1MAOA
SCHEMBL11036512 0.73 CPA1 (0.49) SLC6A2SLC6A4SLC6A3SIGMAR1MAOA
SCHEMBL11263251 0.73 CPA1 (0.45) ADRA2BADRA2CADRA1AOPRK1SLC6A2
Dimetamfetamine SCHEMBL11773332 0.72 SLC6A4 (0.64) ADRA2BADRA2CADRA1AOPRK1SLC6A2

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
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