SCHEMBL8086790

SCHEMBL8086790

NCCCCn1cnc(-c2ccc(F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
QPCT Q16769 4/20 0.42
TLR8 Q9NR97 1/20 0.42
KDM5A P29375 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
SYK P43405 1/20 0.38
HASPIN Q8TF76 1/20 0.37
KDM6B O15054 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4A O75164 1/20 0.35
KDM4C Q9H3R0 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) TLR8CYP11B1CYP11B2
SCHEMBL6421708 0.85 TLR8 (0.42) TLR8KDM5BSYKKDM4AKDM4C
SCHEMBL8653720 0.85 QPCT (0.42) QPCTTLR8KDM5AKDM5BKDM6B
SCHEMBL4869521 0.84 PDE10A (0.46) TLR8
SCHEMBL4869118 0.84 CYP2E1 (0.38) MAPK14QPCTKDM5AKDM5BSYK
SCHEMBL9219546 0.83 QPCT (0.43) QPCTTLR8KDM5AKDM5BKDM6B
SCHEMBL4871159 0.83 CYP2E1 (0.41) MAPK13MAPK12MAPK11MAPK14HASPIN
SCHEMBL8093025 0.81 MEN1 (0.49) QPCTTLR8SYKHASPIN
SCHEMBL8091115 0.81 MMP2 (0.47) KDM5AKDM5BKDM4C
SCHEMBL5924494 0.80 PDE10A (0.47) TLR8KDM5AKDM5BSYKKDM4C

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