SCHEMBL8093058

SCHEMBL8093058

COc1cccc(-c2cn(CCCCN)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.51
SYK P43405 1/20 0.46
MAOB P27338 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
WDR5 P61964 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8653314 0.87 TLR8 (0.48) TLR8HDAC3HDAC4HDAC1HDAC7
SCHEMBL27369921 0.86 TLR8 (0.46) TLR8HDAC3HDAC4HDAC1HDAC7
SCHEMBL8093025 0.85 MEN1 (0.49) TLR8SYKMAPTKDM4ENPC1
SCHEMBL18896259 0.82 CYP3A4 (0.55) TLR8DYRK1ACLK4TP53MAPT
SCHEMBL5821644 0.81 CYP11B1 (0.41) TLR8TP53MAPTKDM4ENPC1
SCHEMBL4869521 0.81 PDE10A (0.46) TLR8NPC1RAB9A
SCHEMBL5924258 0.79 TLR8 (0.46) TLR8HDAC3HDAC4HDAC1HDAC7
SCHEMBL4868781 0.77 CYP11B1 (0.43) SYK
SCHEMBL5924494 0.76 PDE10A (0.47) TLR8SYKMAPTNPC1RAB9A
SCHEMBL13540957 0.76 DYRK1A (0.53) TLR8DYRK1ACLK4TP53MAPT

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 12 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
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP disclosed