SCHEMBL7937772

SCHEMBL7937772

CC1=CC(CCC2C=Cc3ccccc32)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.42
KDM4E B2RXH2 2/20 0.36
HTR2A P28223 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
NFKB1 P19838 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
THPO P40225 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
SCHEMBL7939907 0.85 HTR6 (0.41) HTR6KDM4EHTR2ALMNATP53
SCHEMBL668105 0.81 HTR6 (0.56) HTR6KDM4EHTR2ALMNATP53
SCHEMBL8770696 0.79 HTR6 (0.55) HTR6KDM4EHTR2ALMNATP53
SCHEMBL9144867 0.79 HTR6 (0.55) HTR6KDM4EHTR2ALMNATP53
SCHEMBL5604259 0.79 HTR6 (0.55) HTR6KDM4EHTR2ALMNATP53
SCHEMBL4004561 0.79 HTR6 (0.55) HTR6KDM4EHTR2ALMNATP53
SCHEMBL9860070 0.79 HTR6 (0.55) HTR6KDM4EHTR2ALMNATP53
SCHEMBL20952390 0.79 HTR6 (0.55) HTR6KDM4EHTR2ALMNATP53
Hydrochloric Acid SCHEMBL7699824 0.77 HTR6 (0.53) HTR6KDM4EHTR2ALMNATP53
Hydrochloric Acid SCHEMBL29672904 0.77 HTR6 (0.53) HTR6KDM4EHTR2ALMNATP53

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-6232256-B1 CONTACTING A CYCLOALKADIENYL COMPOUND, A TRANSITION METAL AMIDE, AN ALUMINOXANE, AND OPTIONALLY A SOLID SUPPORT UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2001-05-15 US disclosed
EP-0933383-A1 Catalyst composition for the polymerization of olefins UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-08-04 EP disclosed