SCHEMBL7961896

SCHEMBL7961896

CC(=O)O[C@@H]1CC[C@@H](n2cc(C(=O)O)c(=O)c3cccnc32)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.43
KDM4E B2RXH2 1/20 0.42
PDE4A P27815 1/20 0.39
KCNH2 Q12809 1/20 0.39
TOP2A P11388 3/20 0.39
TOP2B Q02880 3/20 0.39
PIK3CG P48736 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
ELANE P08246 1/20 0.37
GSK3B P49841 2/20 0.37
DPP4 P27487 1/20 0.36

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
SCHEMBL7963082 0.94 KDM4E (0.46) HTR3AKDM4EPDE4AKCNH2TOP2A
SCHEMBL7963083 0.94 KDM4E (0.46) HTR3AKDM4EPDE4AKCNH2TOP2A
SCHEMBL7964137 0.88 ELANE (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7946466 0.85 KDM4E (0.47) HTR3AKDM4EPDE4AKCNH2TOP2A
SCHEMBL7951798 0.85 KDM4E (0.47) HTR3AKDM4EPDE4AKCNH2TOP2A
SCHEMBL7960307 0.84 KDM4E (0.55) KDM4EPDE4AKCNH2TOP2ATOP2B
SCHEMBL7963744 0.83 KDM4E (0.46) HTR3AKDM4EPDE4AKCNH2TOP2A
SCHEMBL7963666 0.82 PDE4A (0.55) HTR3APDE4AKCNH2
SCHEMBL7963122 0.80 KDM4E (0.51) KDM4EPDE4AKCNH2TOP2ATOP2B
SCHEMBL7963124 0.80 KDM4E (0.51) KDM4EPDE4AKCNH2TOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331548-B1 PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES SUNTORY LIMITED (JP) 2001-12-18 US disclosed
EP-0978516-A1 1-CYCLOALKYL-1,8-NAPHTHYRIDIN-4-ONE DERIVATIVES WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SUNTORY LIMITED (JP) 2000-02-09 EP disclosed