SCHEMBL6421708

SCHEMBL6421708

NCCCCn1cnc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
MAP4K4 O95819 1/20 0.41
NOTUM Q6P988 1/20 0.39
SYK P43405 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LTA4H P09960 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPT P10636 1/20 0.37
CHEK1 O14757 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
PHF8 Q9UPP1 1/20 0.36
TEAD2 Q15562 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 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
SCHEMBL7030913 0.86 TLR8 (0.41) TLR8ALDH1A1MAPT
SCHEMBL8086790 0.85 MAPK13 (0.42) TLR8SYKKDM4AKDM4CKDM5B
SCHEMBL6421705 0.85 TLR8 (0.39) TLR8MAP4K4KDM4EALDH1A1PHF8
SCHEMBL4869521 0.84 PDE10A (0.46) TLR8
SCHEMBL4869517 0.84 PIK3CD (0.38) NOTUMTEAD2KDM4CKDM5B
SCHEMBL27368362 0.83 MAP4K4 (0.39) TLR8MAP4K4KDM4EALDH1A1MAPT
SCHEMBL4871159 0.83 CYP2E1 (0.41)
SCHEMBL8093025 0.81 MEN1 (0.49) TLR8SYKKDM4ELTA4HMAPT
SCHEMBL5924494 0.80 PDE10A (0.47) TLR8SYKMAPTKDM4CKDM5B
SCHEMBL5346379 0.79 CPB2 (0.40) MAP4K4SYK

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
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP claimed
WO-2005074945-A2 KETOLIDE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS CAMBRIDGE THERANOSTICS LIMITED (GB) 2005-08-18 WO 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