SCHEMBL7599303

SCHEMBL7599303

CCC1=C(c2cccc3ccccc23)c2c3cccc2C1[Zr](C)(C)C1C(CC)=C(c2cccc4ccccc24)c2c(cccc21)CC3

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.36
HTR1A P08908 3/20 0.34
SLC6A4 P31645 8/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A3 Q01959 4/20 0.33
CYP2D6 P10635 1/20 0.33
DRD2 P14416 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL797679 0.85 HTR7 (0.35) HTR7HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7602791 0.84 HTR7 (0.36) HTR7HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7607482 0.82 HTR2A (0.31) SLC6A4SLC6A2SLC6A3CYP2D6MAPT
SCHEMBL7597611 0.82
SCHEMBL7597692 0.81 HTR7 (0.38) HTR7HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7596999 0.80
SCHEMBL7607537 0.79
SCHEMBL796713 0.77 HTR7 (0.38) HTR7HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL796777 0.75 HTR7 (0.36) HTR7HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7607532 0.75 SLC6A4 (0.33) HTR7HTR1ASLC6A4SLC6A2SLC6A3

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