SCHEMBL8079709

SCHEMBL8079709

COc1ccc2c(CCCCN)ccnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 1/20 0.58
HTR1A P08908 3/20 0.56
ADRA1D P25100 3/20 0.56
ADRA1A P35348 3/20 0.56
ADRA1B P35368 3/20 0.56
MET P08581 1/20 0.49
HASPIN Q8TF76 8/20 0.47
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
DYRK1A Q13627 2/20 0.45
SYK P43405 1/20 0.45
DYRK2 Q92630 3/20 0.44
TLR8 Q9NR97 1/20 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
DYRK3 O43781 1/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43

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) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL8666535 0.86 HTR1A (0.53) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL7105353 0.81 HTR1A (0.56) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL591578 0.79 MTNR1A (0.62) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL10175202 0.79 HTR1A (0.60) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL4432526 0.78 CYP19A1 (0.51) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL24010334 0.77 HTR1A (0.59) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL30682081 0.77 HTR1A (0.59) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL10990622 0.77 NOS1 (0.54) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL7034663 0.77 HTR1A (0.52) FERMT2HTR1AADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1088709-C Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 2002-08-07 CN claimed
CN-1229082-A Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 1999-09-22 CN claimed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN claimed
CN-1088709-C Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 2002-08-07 CN disclosed
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
CN-1052984-C Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 2000-05-31 CN disclosed
CN-1229082-A Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 1999-09-22 CN disclosed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US 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