SCHEMBL2525591

SCHEMBL2525591

CN(C)CCCN1C2=C(C=Cc3ccccc31)CCC=C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.54
HRH1 P35367 7/20 0.54
HTR1A P08908 6/20 0.54
DRD2 P14416 6/20 0.54
HTR2A P28223 6/20 0.54
HTR6 P50406 5/20 0.54
CYP2D6 P10635 5/20 0.49
LMNA P02545 4/20 0.49
MAPT P10636 4/20 0.49
CHRM2 P08172 4/20 0.49
CHRM1 P11229 4/20 0.49
ADRA2B P18089 4/20 0.49
ADRA2C P18825 4/20 0.49
DRD1 P21728 4/20 0.49
SLC6A2 P23975 4/20 0.49
ADRA1A P35348 4/20 0.49
OPRM1 P35372 4/20 0.49
DRD3 P35462 4/20 0.49
KCNH2 Q12809 4/20 0.49
CACNA1B Q00975 4/20 0.49

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
Depramine SCHEMBL2108027 0.80 HTR1A (0.73) SLC6A4HRH1HTR1ADRD2HTR2A
Depramine SCHEMBL29489714 0.80 HTR1A (0.73) SLC6A4HRH1HTR1ADRD2HTR2A
Tienopramine SCHEMBL29388629 0.68 HTR1A (0.57) SLC6A4HRH1HTR1ADRD2HTR2A
Imipramine SCHEMBL6118138 0.67 SLC6A4 (1.00) SLC6A4HRH1HTR1ADRD2HTR2A
Imipramine SCHEMBL29350100 0.67 SLC6A4 (1.00) SLC6A4HRH1HTR1ADRD2HTR2A
Imipramine SCHEMBL17004048 0.67 SLC6A4 (1.00) SLC6A4HRH1HTR1ADRD2HTR2A
Imipramine SCHEMBL34282 0.67 SLC6A4 (1.00) SLC6A4HRH1HTR1ADRD2HTR2A
Imipramine SCHEMBL41765 0.66 LMNA (1.00) SLC6A4HRH1HTR1ADRD2HTR2A
Imipramine SCHEMBL28759733 0.66 LMNA (1.00) SLC6A4HRH1HTR1ADRD2HTR2A
Imipramine SCHEMBL29040915 0.66 SLC6A4 (0.97) SLC6A4HRH1HTR1ADRD2HTR2A

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
US-8883863-B1 Safety of psuedoephedrine drug products PISGAH LABORATORIES, INC. (US) 2014-11-11 US disclosed
US-8039461-B1 Physical states of a pharmaceutical drug substance PISGAH LABORATORIES, INC. (US) 2011-10-18 US disclosed
US-7718649-B1 amorphous and morphologically pure imipramine pamoate characterized by differential scanning calorimetry, fourier transform infrared, and powder x-ray diffraction; combining the pH adjusted solutions of imipramine hydrochloride with disodium pamoate, warming, cooling and precipitating solids PISGAH LABS, INC. (US) 2010-05-18 US disclosed