SCHEMBL5617474

SCHEMBL5617474

CC1=Cc2c(-c3ccncc3)cccc2C1[Zr](Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL3163967 0.87 BRD4 (0.33)
SCHEMBL6889133 0.85 EDNRB (0.32)
SCHEMBL27463750 0.84 PTGS2 (0.33)
SCHEMBL27493782 0.83
SCHEMBL7199373 0.83 HTR2C (0.34)
SCHEMBL7934286 0.83 MAOA (0.30)
SCHEMBL4556848 0.82 KIF11 (0.33) DRD2
SCHEMBL28878593 0.81 BRD4 (0.33)
SCHEMBL7598774 0.81 EDNRB (0.34)
SCHEMBL7203232 0.81 BRD4 (0.35)

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
EP-1866322-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-12-19 EP disclosed
WO-2006065844-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed