Butylamine

Butylamine

SCHEMBL8655792

CCCCN.Clc1ccc2[nH]cnc2c1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PARP1 P09874 1/20 0.39
FERMT2 Q96AC1 2/20 0.38
KDM4E B2RXH2 2/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
HTR2A P28223 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
EPHX1 P07099 1/20 0.36

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
SCHEMBL29908920 0.82 ALDH1A1 (0.56) DPP4DPP8ALDH1A1MAPTPARP1
SCHEMBL1445052 0.82 ALDH1A1 (0.56) DPP4DPP8ALDH1A1MAPTPARP1
SCHEMBL11404855 0.81 ALDH1A1 (0.55) DPP4DPP8ALDH1A1MAPTPARP1
Dimedazol SCHEMBL8653326 0.77 MAPT (0.44) ALDH1A1MAPTCYP1A2KDM4EAPEX1
SCHEMBL8817622 0.76 PRKCI (0.52) ALDH1A1MAPTCYP3A4PARP1KDM4E
Butylamine SCHEMBL8653428 0.75 KDM4A (0.41) MAPTCYP1A2CYP3A4CYP2D6KDM4E
Benzimidazole SCHEMBL27847448 0.74 TLR8 (0.43) EPHX1PRKCI
SCHEMBL3796386 0.72 MAPT (0.42) ALDH1A1MAPTCYP1A2CYP2D6KDM4E
SCHEMBL8656473 0.72 POLA1 (0.46) MAPTCYP1A2CYP2D6MEN1KMT2A
SCHEMBL11088260 0.71 HTR1A (0.46) ALDH1A1MAPTCYP3A4KDM4EMEN1

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