SCHEMBL6566244

SCHEMBL6566244

C[Ti](C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 2/20 0.34
CYP2D6 P10635 2/20 0.34
BRD4 O60885 1/20 0.34
CCL2 P13500 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
NFKB1 P19838 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL8078360 0.87 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL30019252 0.87 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL4460614 0.78 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL8383847 0.78 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL4456972 0.78 HTR2A (0.42) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL5183873 0.78 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL3761123 0.78 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL8749938 0.78 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL2536751 0.78 HTR2A (0.34) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL6302852 0.78 HTR2A (0.34) HTR2AHTR6KDM4ECYP2D6BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2663400-A1 PROCESS OF MAKING MODIFIED METALLOCENE CATALYST, CATALYST PRODUCED AND USE THEREOF W. R. Grace & Co.-Conn (US) 2013-11-20 EP disclosed
WO-2012097146-A1 PROCESS OF MAKING MODIFIED METALLOCENE CATALYST, CATALYST PRODUCED AND USE THEREOF W. R. GRACE & CO.-CONN. (US) 2012-07-19 WO disclosed
EP-1399491-A1 SUPPORTED DUAL TRANSITION METAL CATALYST SYSTEMS W.R. Grace & Co.-Conn. (US) 2004-03-24 EP disclosed
EP-1392741-A1 PROCESS FOR PREPARING SUPPORTED TRANSITION METAL CATALYST SYSTEMS AND CATALYST SYSTEMS PREPARED THEREBY W. R. Grace & Co.-Conn (US) 2004-03-03 EP disclosed
WO-2002088201-A1 PROCESS FOR PREPARING SUPPORTED TRANSITION METAL CATALYST SYSTEMS AND CATALYST SYSTEMS PREPARED THEREBY W. R. GRACE & CO.-CONN. (US) 2002-11-07 WO disclosed
WO-2002088200-A1 SUPPORTED DUAL TRANSITION METAL CATALYST SYSTEMS W.R. GRACE & CO.-CONN. (US) 2002-11-07 WO disclosed
EP-1159320-A1 SHEAR THINNING ETHYLENE/ALPHA-OLEFIN INTERPOLYMERS AND THEIR PREPARATION Du Pont Dow Elastomers L.L.C. (US) 2001-12-05 EP disclosed
WO-2000026268-A1 SHEAR THINNING ETHYLENE/α-OLEFIN INTERPOLYMERS AND THEIR PREPARATION DU PONT DOW ELASTOMERS L.L.C. (US) 2000-05-11 WO disclosed