Pseudoephedrine

Pseudoephedrine

SCHEMBL8728628

CCC(N)=O.CN[C@@H](C)[C@@H](O)c1ccccc1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC6A2

The experimentally established mechanism targets of Pseudoephedrine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.71
CHRM2 P08172 1/20 0.71
ADRA1A P35348 1/20 0.71
RGS12 O14924 1/20 0.71
GLA P06280 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
PKM P14618 1/20 0.71
ALOX15 P16050 1/20 0.71
TSHR P16473 1/20 0.71
ALOX12 P18054 1/20 0.71
NFKB1 P19838 1/20 0.71
HTR2A P28223 1/20 0.71
CYP2C19 P33261 1/20 0.71
THPO P40225 1/20 0.71
GNAI1 P63096 1/20 0.71
HSD17B10 Q99714 1/20 0.71
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69

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
Racephedrine SCHEMBL8728630 1.00 ADRA2C (0.71) ADRA2CCHRM2ADRA1ARGS12GLA
Racephedrine SCHEMBL8017708 0.90 ADRA2C (0.71) ADRA2CCHRM2ADRA1ARGS12GLA
Pseudoephedrine SCHEMBL2081239 0.90 ADRA2C (0.71) ADRA2CCHRM2ADRA1ARGS12GLA
Racephedrine SCHEMBL2081241 0.90 ADRA2C (0.71) ADRA2CCHRM2ADRA1ARGS12GLA
Racephedrine SCHEMBL28507177 0.90 CYP2D6 (0.76) ADRA2CCHRM2ADRA1ARGS12GLA
Racephedrine SCHEMBL3079361 0.89 ADRA2C (0.69) ADRA2CCHRM2ADRA1ARGS12GLA
Racephedrine SCHEMBL1785211 0.89 ADRA2C (0.69) ADRA2CCHRM2ADRA1ARGS12GLA
Pseudoephedrine SCHEMBL3079358 0.89 ADRA2C (0.69) ADRA2CCHRM2ADRA1ARGS12GLA
Racephedrine SCHEMBL8733657 0.88 ALDH1A1 (0.67) ADRA2CCHRM2ADRA1ARGS12GLA
Pseudoephedrine SCHEMBL8733656 0.88 ALDH1A1 (0.67) ADRA2CCHRM2ADRA1ARGS12GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145919-A1 METHODS FOR PRODUCING BERAPROST AND ITS DERIVATIVES Lung Biotechnology PBC (US) 2017-03-29 EP disclosed
WO-2015179427-A1 METHODS FOR PRODUCING BERAPROST AND ITS DERIVATIVES LUNG BIOTECHNOLOGY PBC (US) 2015-11-26 WO disclosed
EP-0751927-A4 SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY CALIFORNIA INST OF TECHN (US) 1998-07-29 EP disclosed
EP-0751927-A1 SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-01-08 EP disclosed
US-5488131-A Synthesis of compounds with predetermined chirality CALIFORNIA INSTITUTE OF TECHNOLOGY 1996-01-30 US disclosed
WO-1995025714-A1 SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1995-09-28 WO disclosed