SCHEMBL7599308

SCHEMBL7599308

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
HTR7 P34969 2/20 0.31
HTR1A P08908 1/20 0.31
HTR2B P41595 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SLC6A4 P31645 5/20 0.31
DRD2 P14416 1/20 0.31
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL2522719 0.86 PTPN1 (0.33) CNR2HTR7HTR1AHTR2BTMEM97
SCHEMBL7607488 0.85 PPARG (0.31) CNR2HTR7HTR1AHTR2BTMEM97
SCHEMBL27473875 0.85 HTR7 (0.32) HTR7HTR1AHTR2BTMEM97SIGMAR1
Ethane SCHEMBL8632402 0.85 KDM4E (0.31) HTR7HTR1AHTR2BTMEM97SIGMAR1
Propane SCHEMBL8633041 0.85 SLC6A4 (0.32) HTR7HTR1AHTR2BTMEM97SIGMAR1
SCHEMBL7602794 0.84 CA12 (0.32) CNR2HTR7HTR1ASLC6A4CYP2D6
SCHEMBL797680 0.83 CNR2 (0.34) CNR2HTR7SLC6A4DRD2
SCHEMBL7596528 0.83 HTR7 (0.31) HTR7
Hexane SCHEMBL8633532 0.82 TLR8 (0.36) CNR2HTR7SLC6A4DRD2CYP2D6
Ethane SCHEMBL8635880 0.81

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