SCHEMBL6659159

SCHEMBL6659159

C[Si]1(C)C2=C([Zr])CC(C3c4ccccc4-c4ccccc43)=C21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ADRA2C P18825 1/20 0.30
PTGS2 P35354 1/20 0.30
HRH1 P35367 1/20 0.30
HTR3A P46098 1/20 0.30
PDE4D Q08499 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
SCHEMBL6651543 0.73 ADRA2C (0.36) GPR3HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6652893 0.71 ADRA2C (0.33) GPR3HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6653543 0.65
SCHEMBL7157162 0.61 GPR3 (0.34) GPR3HTR2A
Hydrochloric Acid SCHEMBL8414418 0.59 GPR3 (0.31) GPR3
SCHEMBL27885617 0.58 HTR2A (0.52) GPR3HTR2ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7208697 0.58 ADRA2C (0.35) GPR3HTR2AADRA2CPTGS2HRH1
SCHEMBL29116619 0.57 HTR2A (0.50) GPR3HTR2AADRA2CPTGS2HRH1
SCHEMBL29945705 0.56 GPR3 (0.50) GPR3HTR2A
SCHEMBL8416742 0.56 GPR3 (0.50) GPR3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257587-B1 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS DOW GLOBAL TECHNOLOGIES INC (US) 2004-06-23 EP claimed
EP-1257587-A2 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS THE DOW CHEMICAL COMPANY (US) 2002-11-20 EP claimed
WO-2001004164-A2 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS THE DOW CHEMICAL COMPANY (US) 2001-01-18 WO claimed
EP-1257587-A2 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS THE DOW CHEMICAL COMPANY (US) 2002-11-20 EP disclosed
WO-2001004164-A2 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS THE DOW CHEMICAL COMPANY (US) 2001-01-18 WO disclosed