SCHEMBL6654025

SCHEMBL6654025

C[Si](C)(C)OCCC(CCO[Si](C)(C)C)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.32
HTR2A P28223 1/20 0.32
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
SLC22A2 O15244 1/20 0.30
SLC22A3 O75751 1/20 0.30
BCHE P06276 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
SCHEMBL6647412 0.92 BCHE (0.31) GPR3HTR2AACHEBCHE
SCHEMBL6650366 0.86 CHRM2 (0.30) ACHECHRM2HTR1AADRA2ACHRM1
SCHEMBL6649914 0.84 BCHE (0.32) GPR3HTR2APOLBACHEBCHE
SCHEMBL6652343 0.81 ACHE (0.35) GPR3HTR2APOLBACHECHRM2
SCHEMBL6653353 0.81 DUT (0.34) HTR2A
SCHEMBL6650612 0.78 BCHE (0.30) ACHEBCHE
SCHEMBL6651749 0.76 DUT (0.32)
SCHEMBL11864390 0.75 ACHE (0.33) GPR3HTR2APOLBACHECHRM2
SCHEMBL6649713 0.72 RET (0.35) HTR2A
SCHEMBL6648843 0.69 RET (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534665-B1 Used for polymerization and copolymerization of olefins REPSOL QUIMICA S.A. (ES) 2003-03-18 US claimed
EP-1095944-B1 Single-carbon bridged bis cyclopentadienyl compounds and metallocene complexes thereof REPSOL QUIMICA SA (ES) 2004-03-17 EP disclosed
US-6534665-B1 Used for polymerization and copolymerization of olefins REPSOL QUIMICA S.A. (ES) 2003-03-18 US disclosed
EP-1095944-A1 Single-carbon bridged bis cyclopentadienyl compounds and metallocene complexes thereof REPSOL QUIMICA S.A. (ES) 2001-05-02 EP disclosed