SCHEMBL7602999

SCHEMBL7602999

C[Nb](C)(C1C=Cc2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTR2A P28223 2/20 0.33
CYP2D6 P10635 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
THPO P40225 1/20 0.33

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
SCHEMBL797631 0.74 BCHE (0.38) KDM4EHTR2ACYP2D6LMNATP53
SCHEMBL8676094 0.70 MEN1 (0.33) GPR3KDM4EHTR2ACYP2D6LMNA
SCHEMBL7065768 0.68 HTR2A (0.33) GPR3KDM4EHTR2ACYP2D6LMNA
SCHEMBL29386036 0.67 HTR2A (0.39) GPR3KDM4EHTR2ACYP2D6LMNA
SCHEMBL19630560 0.67 HTR2A (0.39) GPR3KDM4EHTR2ACYP2D6LMNA
Chloromethane SCHEMBL3689975 0.67 SIGMAR1 (0.34) KDM4EHTR2ACYP2D6LMNATP53
SCHEMBL29758162 0.66 HTR2A (0.38) KDM4EHTR2ACYP2D6LMNATP53
SCHEMBL2136144 0.66 HTR2A (0.38) KDM4EHTR2ACYP2D6LMNATP53
SCHEMBL6763868 0.66 HTR2A (0.38) KDM4EHTR2ACYP2D6LMNATP53
SCHEMBL8857133 0.66 HTR2A (0.33) GPR3KDM4EHTR2ACYP2D6LMNA

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 3 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
US-6255531-B1 POLYMERIZATION CATALYSTS TARGOR GMBH (DE) 2001-07-03 US disclosed