SCHEMBL8380950

SCHEMBL8380950

C[Hf](C)(C)C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 2/20 0.34
CYP2D6 P10635 2/20 0.34
BRD4 O60885 1/20 0.34
CCL2 P13500 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
NFKB1 P19838 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL28290857 0.87 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL15189742 0.85 HTR2A (0.36) HTR2AHTR6KDM4ECYP2D6BRD4
Ethylene SCHEMBL4337188 0.83 HTR2A (0.35) HTR2AHTR6KDM4ECYP2D6BRD4
Hydrochloric Acid SCHEMBL7715911 0.82 KDM4E (0.38) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL1622995 0.80 HTR2A (0.33) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL7599530 0.80 HTR2A (0.33) HTR2AHTR6KDM4ECYP2D6BRD4
Hydrochloric Acid SCHEMBL10434700 0.79 SIGMAR1 (0.33) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL3385243 0.78 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL3382947 0.78 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL3382688 0.78 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6BRD4

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-5916982-A Process for the production of polyolefins NIPPON OIL CO., LTD. (JP) 1999-06-29 US disclosed
EP-0768320-A1 Catalyst component and catalyst NIPPON OIL CO. LTD. (JP) 1997-04-16 EP disclosed
EP-0768319-A1 Process for the production of polyolefins NIPPON OIL CO. LTD. (JP) 1997-04-16 EP disclosed