SCHEMBL7962923

SCHEMBL7962923

CCOC(=O)c1cn(C2CCN(Cc3ccccc3)CC2)c2ncccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
HTR6 P50406 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 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
SCHEMBL7953542 0.90 HTR6 (0.51) ELANEKMT2AMEN1HTR6ALDH1A1
SCHEMBL7953666 0.87 ELANE (0.58) ELANETSHRMAPK1
SCHEMBL7966046 0.87 TSHR (0.47) ELANETSHRMAPK1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL7953473 0.87 DRD2 (0.47) DRD2DRD4DRD3HTR6KDM4E
SCHEMBL7966469 0.85 ELANE (0.56) ELANEKMT2AMEN1HTR6ALDH1A1
SCHEMBL7954868 0.85 ELANE (0.56) ELANEKMT2AMEN1ALDH1A1KDM4E
SCHEMBL7946372 0.85 ELANE (0.55) ELANEKMT2AMEN1MAPK1KDM4E
SCHEMBL7960265 0.84 ELANE (0.54) ELANEKMT2AMEN1
SCHEMBL7966421 0.84 ELANE (0.54) ELANEKMT2AMEN1
SCHEMBL7966257 0.83 ELANE (0.53) ELANEALDH1A1

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