SCHEMBL3445347

SCHEMBL3445347

C=Cc1ccccc1OCCC.CCCNC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.47
NR2E1 Q9Y466 1/20 0.46
ADRB2 P07550 7/20 0.45
ADRB1 P08588 7/20 0.45
ADRB3 P13945 2/20 0.45
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
HTR1A P08908 2/20 0.42
CYP2D6 P10635 2/20 0.42
SLC6A4 P31645 2/20 0.42
ADRA1A P35348 2/20 0.42
SLC22A1 O15245 1/20 0.42
HTR2A P28223 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
BDKRB2 P30411 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL3444395 0.89 KDM4E (0.48) HTR1BADRB2ADRB1ADRB3KDM4E
SCHEMBL3445220 0.87 ADRB2 (0.42) HTR1BADRB2ADRB1ADRB3LMNA
SCHEMBL2098846 0.84 HPGD (0.48) LMNACYP1A2ALDH1A1HTR2BTSHR
SCHEMBL3445002 0.83 HTR1B (0.42) HTR1BNR2E1ADRB2ADRB1ADRB3
Dimethylamine SCHEMBL4364526 0.83 ALDH1A1 (0.44) HTR1BADRB2ADRB1ADRB3LMNA
SCHEMBL4364851 0.81 ALDH1A1 (0.41) ADRB2ADRB1ADRB3LMNACYP1A2
SCHEMBL3444115 0.81 KDM4E (0.39) ADRB2ADRB1ADRB3LMNACYP1A2
Diethylamine SCHEMBL3445008 0.80 ALDH1A1 (0.46) HTR1BADRB2ADRB1LMNACYP1A2
SCHEMBL3446067 0.80 ALDH1A1 (0.39) HTR1BADRB2ADRB1ADRB3LMNA
SCHEMBL3445326 0.80 HTR1B (0.47) HTR1BCYP1A2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816475-B2 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORPORATION (JP) 2010-10-19 US disclosed
EP-1829857-B1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORP (JP) 2009-11-04 EP disclosed
US-20070213490-A1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORPORATION 2007-09-13 US disclosed
EP-1829857-A1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof Tosoh Corporation (JP) 2007-09-05 EP disclosed