SCHEMBL4460788

SCHEMBL4460788

Cl[Zr](Cl)(CC1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
HTR2A P28223 1/20 0.34
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL5859434 0.82 HTR2A (0.38) HTR6HTR2ASIGMAR1
SCHEMBL4469057 0.82 HTR6 (0.49) HTR6HTR2ASIGMAR1
SCHEMBL4468140 0.81 HTR6 (0.40) HTR6HTR2ASIGMAR1
SCHEMBL137961 0.76 HTR2A (0.38) HTR6HTR2ASIGMAR1
SCHEMBL550007 0.76 HTR2A (0.38) HTR6HTR2ASIGMAR1
SCHEMBL7941885 0.74 HTR2A (0.36) HTR6HTR2ASIGMAR1
SCHEMBL20952390 0.74 HTR6 (0.55) HTR6HTR2ASIGMAR1
Propane SCHEMBL22261431 0.74 HTR2A (0.37) HTR6HTR2ASIGMAR1
SCHEMBL1453509 0.73 HTR6 (0.58) HTR6HTR2ASIGMAR1
SCHEMBL4460333 0.73 HTR6 (0.41) HTR6HTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1671983-B1 Catalysts compositions for the polymerization and copolymerization of alpha-olefins REPSOL QUIMICA SA (ES) 2009-02-25 EP claimed