SCHEMBL7899799

SCHEMBL7899799

CC=[Zr](Cl)(CC)(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.33
HTR2A P28223 2/20 0.33
SIGMAR1 Q99720 4/20 0.32
BRD4 O60885 1/20 0.30
CCL2 P13500 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 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
SCHEMBL6356936 0.84 SIGMAR1 (0.36) HTR6HTR2ASIGMAR1
SCHEMBL846366 0.83 RET (0.37) HTR6HTR2ASIGMAR1BRD4CCL2
SCHEMBL819261 0.81 HTR2A (0.34) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL61106 0.80 HTR6 (0.33) HTR6HTR2ASIGMAR1BRD4CCL2
SCHEMBL7525478 0.79 HTR6 (0.32) HTR6HTR2ASIGMAR1
SCHEMBL6918052 0.78 HTR6 (0.31) HTR6HTR2A
SCHEMBL61249 0.76 HTR2A (0.34) HTR6HTR2ASIGMAR1BRD4CCL2
Hydrochloric Acid SCHEMBL7107235 0.76 SIGMAR1 (0.35) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL1921550 0.76 SIGMAR1 (0.35) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL439955 0.76 HTR2A (0.35) HTR6HTR2ASIGMAR1KDM4ELMNA

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-6197985-B1 METALLOCENE SUPPORTS; OLEFIN POLYMERIZATION CATALYSTS MITSUI CHEMICALS INC (JP) 2001-03-06 US disclosed
EP-0906914-A2 Solid aluminoxane for catalyst carrier, process for preparing the same, and uses thereof Mitsui Chemicals, Inc. (JP) 1999-04-07 EP disclosed