SCHEMBL7206306

SCHEMBL7206306

CN(C)CCC1C([Zr]C2=CC=CC2)=Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
HRH1 P35367 2/20 0.42
RET P07949 1/20 0.33
CDK8 P49336 1/20 0.32
CDK5 Q00535 1/20 0.32

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
SCHEMBL7211209 0.93 HTR2A (0.44) HTR2AHRH1RETCDK8CDK5
SCHEMBL6067501 0.80
SCHEMBL7547350 0.80
SCHEMBL7542934 0.73 LMNA (0.30)
SCHEMBL7545657 0.73
SCHEMBL8861732 0.70 HTR2A (0.51) HTR2AHRH1RETCDK8CDK5
SCHEMBL17023011 0.68 HTR2A (0.37) HTR2AHRH1
SCHEMBL8854185 0.66 CYP3A4 (0.41) HTR2AHRH1
SCHEMBL7207620 0.65 HTR2A (0.40) HTR2AHRH1RET
SCHEMBL8854188 0.64 HTR2A (0.38) HTR2AHRH1

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-6610872-B1 Zirconim complex containing a dialkylaminoalkylcyclopenta-dienyl or indenyl group and a hydorcarbon cyclopentadienyl group DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-08-26 US disclosed
US-6140448-A Process for preparing polysilane by catalytic dehydrogenative condensation of organosilane and metal complex catalyst therefor DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2000-10-31 US disclosed