SCHEMBL7640895

SCHEMBL7640895

C[Hf](C)[SiH](CC1C=Cc2ccccc21)CC1C=Cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.45
SIGMAR1 Q99720 6/20 0.35
HTR2A P28223 2/20 0.35
KDM4E B2RXH2 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
CYP2D6 P10635 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

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
SCHEMBL6910806 0.83 HTR6 (0.45) HTR6SIGMAR1HTR2A
SCHEMBL4652368 0.77 HTR6 (0.46) HTR6SIGMAR1HTR2AKDM4ELMNA
SCHEMBL8964848 0.77 HTR6 (0.46) HTR6SIGMAR1HTR2AKDM4ELMNA
SCHEMBL8161933 0.77 HTR6 (0.49) HTR6SIGMAR1HTR2AKDM4ELMNA
SCHEMBL8569207 0.77 HTR6 (0.49) HTR6SIGMAR1HTR2AKDM4ELMNA
SCHEMBL8568650 0.77 HTR6 (0.49) HTR6SIGMAR1HTR2AKDM4ELMNA
SCHEMBL1539037 0.76 HTR6 (0.45) HTR6SIGMAR1HTR2AKDM4ELMNA
SCHEMBL6911374 0.76 HTR6 (0.49) HTR6SIGMAR1HTR2A
SCHEMBL1453509 0.75 HTR6 (0.58) HTR6SIGMAR1HTR2AKDM4ELMNA
SCHEMBL6909204 0.74 HTR6 (0.50) HTR6SIGMAR1HTR2AKDM4ELMNA

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
US-6365763-B1 METALLOCENES CONTAINING AROMATIC PI LIGANDS, USEFUL FOR POLYMERIZING OLEFIN MONOMER STEREO SPECIFICALLY BASELL POLYOLEFIN GMBH (DE) 2002-04-02 US disclosed