SCHEMBL7603055

SCHEMBL7603055

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.37
HTR1A P08908 5/20 0.37
DRD2 P14416 2/20 0.37
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
BRD4 O60885 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 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
SCHEMBL797798 0.84 HTR7 (0.36) HTR7HTR1ADRD2CYP19A1CYP11B1
SCHEMBL7599331 0.82 HTR1A (0.34) HTR7HTR1ADRD2CYP11B2BRD4
SCHEMBL7607516 0.81 HTR2A (0.33) CYP19A1CYP11B1CYP11B2
SCHEMBL7602016 0.80 HTR1A (0.33) HTR7HTR1ABRD4EDNRBEDNRA
SCHEMBL7598778 0.78 BRD4 (0.33) HTR7HTR1ADRD2CYP19A1CYP11B1
SCHEMBL7602677 0.78 EDNRB (0.31) EDNRBEDNRA
SCHEMBL796599 0.74 HTR1A (0.31) HTR7HTR1ACYP19A1CYP11B1CYP11B2
SCHEMBL797677 0.72 HTR1A (0.34) HTR7HTR1ADRD2
SCHEMBL5359571 0.69 BRD4 (0.34) BRD4
SCHEMBL17387103 0.67 PDCD1 (0.31)

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