SCHEMBL6893245

SCHEMBL6893245

CCC1CC2=C(C)C(c3cccc(-c4ccccc4)c32)[Zr](C)(C)C2C(C)=C1c1c(-c3ccccc3)cccc12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL5345743 0.80 HTR1A (0.34) HTR1ADRD2HTR7
SCHEMBL5354721 0.79 HTR1A (0.33) HTR1ADRD2HTR7
SCHEMBL7598778 0.72 BRD4 (0.33) HTR1ADRD2HTR7
SCHEMBL5067415 0.69 PDCD1 (0.31)
SCHEMBL7602972 0.69 PDCD1 (0.34) HTR1AHTR7
SCHEMBL6375930 0.69 PDCD1 (0.31)
SCHEMBL797326 0.68 PSMB5 (0.33) HTR1ADRD2HTR7
SCHEMBL7597783 0.67
SCHEMBL5352543 0.66
SCHEMBL5951906 0.66 METAP1 (0.44) HTR1ADRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759500-B1 PRODUCING FIBERS, FILMS AND MOLDINGS, IN PARTICULAR FOR PRODUCING TUBES HAVING A HIGH CREEP RUPTURE STRENGTH UNDER INTERNAL PRESSURE BASELL POLYOLEFINE GMBH (DE) 2004-07-06 US disclosed
US-6506856-B2 Preparing polymers based on monomers having a C-C double and/or C-C triple bond by polymerization of these monomers in the presence of catalyst system comprising as active constituents a compound of an early transition metal BASF AKTIENGESELLSCHAFT (DE) 2003-01-14 US disclosed