Methylamine

Methylamine

SCHEMBL8020846

C=CC(=O)NCCC.CN.COS(=O)(=O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of Methylamine. 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
ZDHHC20 Q5W0Z9 1/20 0.54
ZDHHC2 Q9UIJ5 1/20 0.54
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TGM2 P21980 4/20 0.35
EPHX1 P07099 2/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.33
HTR1A P08908 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
PELI1 Q96FA3 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL15846309 0.97 ZDHHC20 (0.58) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL3681199 0.92 ZDHHC20 (0.53) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL5961784 0.92 ZDHHC20 (0.53) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Sulfuric Acid SCHEMBL7864545 0.86 ZDHHC20 (0.66) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL15846409 0.83 ZDHHC20 (0.54) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Ethylamine SCHEMBL6158519 0.83 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL27979802 0.83 ZDHHC20 (0.63) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL1232298 0.83 ZDHHC20 (0.63) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL15846955 0.82 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Sulfuric Acid SCHEMBL9324961 0.82 ZDHHC20 (0.61) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972110-A1 METHOD FOR PRODUCING HIGH DRY-STRENGTH PAPER, PULPBOARD AND CARDBOARD BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1998045536-A1 METHOD FOR PRODUCING HIGH DRY-STRENGTH PAPER, PULPBOARD AND CARDBOARD BASF AKTIENGESELLSCHAFT (DE) 1998-10-15 WO disclosed