Butylamine

Butylamine

SCHEMBL8653267

CCCCN.Fc1ccc(-c2c[nH]cn2)cc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
MAPK13 O15264 3/20 0.36
MAPK12 P53778 3/20 0.36
MAPK11 Q15759 3/20 0.36
MAPK14 Q16539 3/20 0.36
SPNS2 Q8IVW8 1/20 0.35
SYK P43405 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP19A1 P11511 1/20 0.33
MAOB P27338 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
SREBF2 Q12772 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RIPK3 Q9Y572 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
Butylamine SCHEMBL8653380 0.85 TLR8 (0.44) TLR8SPNS2SYKMAOB
Butylamine SCHEMBL8653466 0.85 TLR8 (0.42) TLR8SPNS2SYKALDH1A1CYP19A1
Butylamine SCHEMBL8655783 0.83 TLR8 (0.46) TLR8SYKALDH1A1CYP19A1MAOB
SCHEMBL464496 0.82 MAPK1 (0.40) MAPK13MAPK12MAPK11MAPK14ALDH1A1
Butylamine SCHEMBL8655474 0.81 SCN10A (0.42) ALDH1A1CYP19A1GAAMAPT
Butylamine SCHEMBL8653688 0.76 TLR8 (0.47) TLR8CYP19A1L3MBTL1
SCHEMBL16439282 0.75 CYP19A1 (0.58) ALDH1A1HPGDCYP19A1MAPTL3MBTL1
SCHEMBL1384144 0.73 SCN4A (0.53) ALDH1A1HPGDMEN1GAAMAPT
Butylamine SCHEMBL8653580 0.73 TLR8 (0.50) TLR8SYKCYP19A1MAOBADORA3
Butylamine SCHEMBL8654778 0.72 TLR8 (0.47) TLR8ALDH1A1HPGDCYP19A1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO claimed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP claimed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO disclosed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP disclosed