SCHEMBL7598778

SCHEMBL7598778

CCC1=C2CCC3=C(CC)C(c4cccc(-c5ccccc5)c43)[Zr](C)(C)C1c1cccc(-c3ccccc3)c12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
HTR1A P08908 3/20 0.32
HTR7 P34969 3/20 0.32
DRD2 P14416 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 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
SCHEMBL796599 0.84 HTR1A (0.31) HTR1AHTR7CYP19A1CYP11B1CYP11B2
SCHEMBL5345743 0.82 HTR1A (0.34) BRD4HTR1AHTR7DRD2CHRNB2
SCHEMBL7602945 0.81 ADRA2C (0.31) CYP19A1CYP11B1CYP11B2
SCHEMBL7598786 0.80 HTR1A (0.30) HTR1AHTR7
SCHEMBL7603055 0.78 HTR7 (0.37) BRD4HTR1AHTR7DRD2CYP19A1
SCHEMBL7599210 0.78
SCHEMBL5354721 0.78 HTR1A (0.33) BRD4HTR1AHTR7DRD2CHRNB2
SCHEMBL7596519 0.77
SCHEMBL797798 0.74 HTR7 (0.36) HTR1AHTR7DRD2CYP19A1CYP11B1
SCHEMBL797326 0.72 PSMB5 (0.33) HTR1AHTR7DRD2

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-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed