Dimethylamine

Dimethylamine

SCHEMBL7516845

Br.C=C(CCC)C(=O)O.CNC.CNC

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Dimethylamine. 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
HDAC3 O15379 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
FFAR3 O14843 3/20 0.42
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CTSD P07339 1/20 0.36
TET2 Q6N021 4/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TET3 O43151 1/20 0.33
TET1 Q8NFU7 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
THRB P10828 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33

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
Dimethylamine SCHEMBL1033026 0.98 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8FFAR3
Dimethylamine SCHEMBL1491853 0.95 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8FFAR3
Dimethylamine SCHEMBL2982085 0.95 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8FFAR3
Dimethylamine SCHEMBL12393363 0.93 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8FFAR3
Bromide SCHEMBL4851394 0.93
SCHEMBL17818 0.90
SCHEMBL10862599 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8FFAR3
Hydrochloric Acid SCHEMBL2564981 0.87
Ethylene SCHEMBL5835732 0.87 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
Ammonia Solution, Strong SCHEMBL534131 0.87

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-5525450-A QUATERNARY AMMONIUM AND ACID GROUP CONTAINING POLYMER SEGMENTS IN NONPOLAR LIQUID XEROX CORPORATION (US) 1996-06-11 US claimed
EP-1193365-B1 Reducing subterranean formation water permeability HALLIBURTON ENERGY SERV INC (US) 2014-12-03 EP disclosed
US-6476169-B1 Methods of reducing subterranean formation water permeability HALLIBURTON ENERGY SERVICES, INC. 2002-11-05 US disclosed
EP-1193365-A1 Reducing subterranean formation water permeability Halliburton Energy Services, Inc. (US) 2002-04-03 EP disclosed