Butylamine

Butylamine

SCHEMBL8655474

CCCCN.FC(F)(F)Oc1ccc(-c2c[nH]cn2)cc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 7/20 0.42
KCNH2 Q12809 4/20 0.39
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
CYP19A1 P11511 5/20 0.37
CYP1A2 P05177 4/20 0.37
CYP2D6 P10635 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 4/20 0.37
PRMT6 Q96LA8 1/20 0.37
CYP3A4 P08684 1/20 0.36
SLC7A5 Q01650 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL9243197 0.85 NISCH (0.44) SCN10AKCNH2SCN1ASCN5ASCN9A
Butylamine SCHEMBL8655783 0.84 TLR8 (0.46) CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19
Butylamine SCHEMBL8653267 0.81 TLR8 (0.44) CYP19A1GAAMAPTALDH1A1
Butylamine SCHEMBL8653380 0.79 TLR8 (0.44) KCNH2NPC1RAB9A
Butylamine SCHEMBL8653466 0.78 TLR8 (0.42) CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16439282 0.78 CYP19A1 (0.58) CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19
Butylamine SCHEMBL8653580 0.72 TLR8 (0.50) CYP19A1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL8655655 0.71 SLC7A5 (0.39) SCN10AKCNH2SCN5APRMT6SLC7A5
Butylamine SCHEMBL8653688 0.70 TLR8 (0.47) CYP19A1CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL5672965 0.69 XDH (0.51) SCN10AKCNH2XDH

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
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP 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
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP disclosed