SCHEMBL7187645

SCHEMBL7187645

CCCCCCC1=C2c3c(-c4ccc(CC)cc4)cccc3C1[Zr]C1C(CCCCCC)=C(c3c(-c4ccc(CC)cc4)cccc31)[Si]2(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
TLR8 Q9NR97 1/20 0.31
DRD2 P14416 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.30
GPR3 P46089 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
SCHEMBL7194232 0.96 EDNRB (0.33) EDNRBEDNRA
SCHEMBL7191351 0.94 HSD17B10 (0.35) DRD2SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL7184015 0.94 HSD17B10 (0.32) TLR8DRD2SLC6A2HTR2AHTR2C
SCHEMBL7194423 0.94 HSD17B10 (0.34) DRD2SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL7194525 0.94 HSD17B10 (0.34) DRD2SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL7189785 0.92 HSD17B10 (0.35) DRD2SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL7189564 0.91 HSD17B10 (0.34) DRD2SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL7187654 0.91 HSD11B1 (0.35) TLR8DRD2SLC6A2HTR2AHTR2C
SCHEMBL7194272 0.91 EDNRB (0.34) EDNRBEDNRA
SCHEMBL7191693 0.90 GCGR (0.32)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054911-B1 CATALYST SYSTEM, METHOD FOR THE PRODUCTION THEREOF AND ITS USE FOR THE POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2003-01-22 EP claimed