SCHEMBL6650366

SCHEMBL6650366

C[Si](C)(C)OCCCC(CO[Si](C)(C)C)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.30

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 1/20 0.30
ACHE P22303 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL6654025 0.86 GPR3 (0.32) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL6652343 0.84 ACHE (0.35) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL6652650 0.83 BCHE (0.31) ACHE
SCHEMBL6648978 0.81 DUT (0.39)
SCHEMBL6647412 0.79 BCHE (0.31) ACHE
SCHEMBL6650512 0.76 RET (0.31)
SCHEMBL11864390 0.73 ACHE (0.33) CHRM2HTR1AADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL6649806 0.72
SCHEMBL6649914 0.72 BCHE (0.32) ACHE
SCHEMBL6654294 0.70 ACHE (0.36) CHRM2HTR1AADRA2ACHRM1DRD1

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