SCHEMBL8666535

SCHEMBL8666535

COc1ccc2c(CCCC[N])ccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.53
ADRA1D P25100 3/20 0.53
ADRA1A P35348 3/20 0.53
ADRA1B P35368 3/20 0.53
MET P08581 2/20 0.49
FERMT2 Q96AC1 1/20 0.48
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
TLR8 Q9NR97 3/20 0.43
GAK O14976 1/20 0.43
RIPK2 O43353 1/20 0.43
COQ8A Q8NI60 1/20 0.43
NLK Q9UBE8 1/20 0.43
CYP1A2 P05177 1/20 0.40
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
ROCK2 O75116 1/20 0.40
LMNA P02545 1/20 0.40
KCNH2 Q12809 1/20 0.39
GRM4 Q14833 1/20 0.39

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
SCHEMBL29161070 0.87 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL8079709 0.86 FERMT2 (0.58) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL7105353 0.81 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL10175202 0.79 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL24010334 0.77 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL30682081 0.77 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL7034663 0.77 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL8079725 0.76 MEN1 (0.56) HTR1AMETLMNA
SCHEMBL4432526 0.75 CYP19A1 (0.51) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL7156011 0.75 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BMET

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 3 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-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