SCHEMBL6653356

SCHEMBL6653356

c1ccc([Si](OCCC(CCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2cccc3c2Cc2ccccc2-3)c2cccc3c2Cc2ccccc2-3)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
KDR P35968 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL6651748 0.93 PNMT (0.35) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6648980 0.87 PNMT (0.35) PNMTNPC1RAB9A
SCHEMBL6651660 0.87 PNMT (0.30) PNMT
SCHEMBL6652634 0.84 PNMT (0.30) PNMT
SCHEMBL6654029 0.84 PNMT (0.40) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6648764 0.83 PNMT (0.35) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6649917 0.82 PNMT (0.38) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6647409 0.79 PNMT (0.38) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6651541 0.78 PNMT (0.30) PNMT
SCHEMBL6650610 0.78 PNMT (0.37) PNMTDRD2DRD4DRD3NPC1

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