SCHEMBL9668481

SCHEMBL9668481

CC(=Nc1ccncc1)OC(C)=Nc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.52
NOS3 P29474 10/20 0.44
NOS1 P29475 8/20 0.44
NOS2 P35228 5/20 0.44
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
CLK2 P49760 1/20 0.32
CSNK1G1 Q9HCP0 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL17107786 0.73 PLG (0.52) PLGNOS3NOS1NOS2HTT
SCHEMBL17107788 0.73 PLG (0.52) PLGNOS3NOS1NOS2HTT
SCHEMBL8932511 0.70 PLG (0.54) PLGNOS3NOS1NOS2LMNA
SCHEMBL8932568 0.69 PLG (0.58) PLGNOS3NOS1NOS2HTR3E
SCHEMBL164098 0.69 PLG (1.00) PLGNOS3NOS1NOS2HTR3E
SCHEMBL48868 0.68 PLG (0.52) PLGNOS3NOS1NOS2HTT
Hydrochloric Acid SCHEMBL11099753 0.67 PLG (0.95) PLGNOS3NOS1NOS2HTR3E
SCHEMBL10509447 0.65 PLG (0.43) PLGNOS3NOS1NOS2HTT
SCHEMBL1703486 0.65 PLG (0.67) PLGNOS3NOS1NOS2L3MBTL1
SCHEMBL1746460 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363061-B1 IMIDAZOLINE DERIVATIVE AND PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 1992-07-22 EP disclosed
US-5051441-A Immunomodulators and cardiovascular disorders TANABE SEIYAKU CO., LTD. (JP) 1991-09-24 US disclosed
EP-0363061-A1 Imidazoline derivative and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1990-04-11 EP disclosed