SCHEMBL6447626

SCHEMBL6447626

C[Zr](=O)([SiH3])(Cl)(Cl)(CCCO)C1c2ccccc2-c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
ACHE P22303 2/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PPIA P62937 1/20 0.31
SLC22A2 O15244 1/20 0.30
SLC22A3 O75751 1/20 0.30
BCHE P06276 1/20 0.30
HTT P42858 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6451934 0.80 PTPN1 (0.38) POLBHTTLMNAMAPTCDC25A
SCHEMBL6443168 0.75
SCHEMBL7627814 0.72 ACHE (0.44) ACHECHRM2HTR1AADRA2ACHRM1
SCHEMBL6463707 0.71 ACHE (0.31) ACHECHRM2HTR1AADRA2ACHRM1
SCHEMBL5614352 0.69 ACHE (0.41) ACHECHRM2HTR1AADRA2ACHRM1
SCHEMBL6448584 0.66 RET (0.31)
SCHEMBL6464764 0.65 SCN1A (0.31)
SCHEMBL2315778 0.64 HTR2A (0.50) ACHECHRM2HTR1AADRA2ACHRM1
SCHEMBL4556626 0.63 HTR2A (0.48) ACHECHRM2HTR1AADRA2ACHRM1
SCHEMBL8993284 0.62 HTR2A (0.52) ACHECHRM2HTR1AADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065018-A1 Preparation and use of heterogeneous catalyst components for olefins polymerization (1) REPSOL QUIMICA S.A. 2005-03-24 US disclosed
EP-0953580-B1 Preparation and use of heterogeneous catalyst components for olefins polymerization REPSOL QUIMICA SA (ES) 2004-04-14 EP disclosed
US-20030144135-A1 PREPARATION AND USE OF HETEROGENEOUS CATALYST COMPONENTS FOR OLEFINS POLYMERIZATION REPSOL QUIMICA S.A. (ES) 2003-07-31 US disclosed
EP-0955306-B1 Functionalized metallocene compounds, synthesis process and use thereof REPSOL QUIMICA SA (ES) 2003-01-22 EP disclosed
US-6114555-A Functionalized metallocene compounds, synthesis process and use thereof REPSOL QUIMICA S.A. (ES) 2000-09-05 US disclosed
EP-0955306-A1 Functionalized metallocene compounds, synthesis process and use thereof REPSOL QUIMICA S.A. (ES) 1999-11-10 EP disclosed
EP-0953580-A1 Preparation and use of heterogeneous catalyst components for olefins polymerization REPSOL QUIMICA S.A. (ES) 1999-11-03 EP disclosed