SCHEMBL7196863

SCHEMBL7196863

CCCCNn1cnc2ncccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.42
CYP4Z1 Q86W10 5/20 0.42
UTS2R Q9UKP6 3/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.37
MKNK2 Q9HBH9 2/20 0.36
CDC7 O00311 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
MKNK1 Q9BUB5 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
SCHEMBL18225730 0.75 LTA4H (0.38) ASAH1NPC1MKNK2CDK2MKNK1
SCHEMBL7105937 0.74 ASAH1 (0.56) ASAH1CYP4Z1SMN1; SMN2TLR8
SCHEMBL10163442 0.73 LTA4H (0.50) ASAH1SMN1; SMN2NPC1MAPT
SCHEMBL7586516 0.73 ASAH1 (0.58) ASAH1CYP4Z1SMN1; SMN2TLR8
SCHEMBL13749801 0.72 LTA4H (0.49) ASAH1HTTSMN1; SMN2TLR8MAPT
SCHEMBL3960228 0.69 LTA4H (0.52) ASAH1HTTSMN1; SMN2NPC1PDE4A
SCHEMBL231309 0.68 LTA4H (0.48) HTTSMN1; SMN2NPC1MKNK2MKNK1
SCHEMBL21311454 0.68 HIF1A (0.36) ASAH1
SCHEMBL22606405 0.68 HIF1A (0.43) ASAH1
SCHEMBL18226736 0.68 GRM2 (0.33) MKNK2CDK2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6590083-B1 Compounds of given formula; erythromycin derivatives; useful in the treatment of bacterial and protozoal infections and conditions involving gastric motility ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-08 US disclosed
US-6458771-B1 SERIES OF KETOLIDE ANTIBACTERIALS IN THE MACROLIDE FAMILY, DRUGS AND INTERMEDIATES, ERYTHROMYCIN ANALOGUES USEFUL IN THE TREATMENT OF BACTERIAL AND PROTOZOAL INFECTIONS AND IN THE TREATMENT OF GASTRIC MOTILITY ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-01 US disclosed
US-6399582-B1 GASTROINTESTINAL DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-04 US disclosed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 EP disclosed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 WO disclosed