SCHEMBL7597813

SCHEMBL7597813

CCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Ti](C)(C)(C)(C)(=[SiH2])C1C(CC)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 3/20 0.33
CNR2 P34972 1/20 0.32
HTR1A P08908 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2D6 P10635 1/20 0.30
TLR8 Q9NR97 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
SCHEMBL7600552 0.88 DRD2 (0.33) SLC6A4DRD2HTR7
SCHEMBL7597079 0.88 DRD2 (0.33) SLC6A4DRD2HTR7
SCHEMBL796750 0.86 CNR2 (0.35) SLC6A4DRD2HTR7CNR2TLR8
SCHEMBL797387 0.82 CNR2 (0.33) SLC6A4DRD2HTR7CNR2TLR8
SCHEMBL797770 0.81 CNR2 (0.33) SLC6A4DRD2HTR7CNR2TLR8
SCHEMBL5859330 0.80 SLC6A4 (0.34) SLC6A4DRD2HTR7CNR2HTR1A
SCHEMBL8613248 0.79 SLC6A4 (0.34) SLC6A4DRD2HTR7CNR2HTR1A
SCHEMBL27559648 0.79 SLC6A4 (0.33) SLC6A4DRD2HTR7CNR2HTR1A
SCHEMBL4622630 0.79 SLC6A4 (0.34) SLC6A4DRD2HTR7CNR2HTR1A
Hydrochloric Acid SCHEMBL4065888 0.77 HTR7 (0.35) SLC6A4DRD2HTR7CNR2HTR1A

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