Dimethylamine

Dimethylamine

SCHEMBL9871526

CNC.CNC(=S)NCCSCc1cccc(C)c1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.71
MAPT P10636 6/20 0.71
ALDH1A1 P00352 5/20 0.71
HPGD P15428 2/20 0.71
ALOX12 P18054 2/20 0.71
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
NPSR1 Q6W5P4 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
NPY1R P25929 1/20 0.51
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45

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
SCHEMBL9871524 0.82 LMNA (0.52) LMNAMAPTALDH1A1HPGDALOX12
SCHEMBL20496880 0.79 ALDH1A1 (0.56) LMNAMAPTALDH1A1HPGDALOX12
Dimethylamine SCHEMBL9871083 0.77 ALDH1A1 (0.55) LMNAMAPTALDH1A1HPGDALOX12
Dimethylamine SCHEMBL9872444 0.75 TAAR1 (0.53) LMNAMAPTALDH1A1HPGDALOX12
SCHEMBL15033625 0.75 LMNA (0.74) LMNAMAPTALDH1A1HPGDALOX12
SCHEMBL15033633 0.75 LMNA (0.62) LMNAMAPTALDH1A1HPGDALOX12
SCHEMBL15033615 0.74 LMNA (0.61) LMNAMAPTALDH1A1HPGDALOX12
SCHEMBL15033620 0.73 LMNA (0.60) LMNAMAPTALDH1A1HPGDALOX12
SCHEMBL15033618 0.73 LMNA (0.60) LMNAMAPTALDH1A1HPGDALOX12
SCHEMBL15022960 0.73 LMNA (0.60) LMNAMAPTALDH1A1HPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021429-A Histamine h2-antagonists; antisecretory-antiallergen agent; skin disorders and peptic ulcers ALLEN & HANSBURYS LIMITED (GB) 1991-06-04 US disclosed