SCHEMBL8770696

SCHEMBL8770696

C1=CC(CCC2C=Cc3ccccc32)c2ccccc21.[LiH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.55
HTR2A P28223 2/20 0.43
SIGMAR1 Q99720 6/20 0.41
KDM4E B2RXH2 2/20 0.39
CYP2D6 P10635 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
NFKB1 P19838 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL4004561 1.00 HTR6 (0.55) HTR6HTR2ASIGMAR1KDM4ECYP2D6
SCHEMBL668105 0.98 HTR6 (0.56) HTR6HTR2ASIGMAR1KDM4ECYP2D6
SCHEMBL9860070 0.95 HTR6 (0.55) HTR6HTR2ASIGMAR1KDM4ECYP2D6
SCHEMBL9144867 0.95 HTR6 (0.55) HTR6HTR2ASIGMAR1KDM4ECYP2D6
SCHEMBL5604259 0.95 HTR6 (0.55) HTR6HTR2ASIGMAR1KDM4ECYP2D6
SCHEMBL20952390 0.95 HTR6 (0.55) HTR6HTR2ASIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL29672904 0.93 HTR6 (0.53) HTR6HTR2ASIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7699824 0.93 HTR6 (0.53) HTR6HTR2ASIGMAR1KDM4ECYP2D6
Methylamine SCHEMBL28004018 0.91 HTR6 (0.56) HTR6HTR2ASIGMAR1KDM4ECYP2D6
SCHEMBL20211959 0.90 HTR6 (0.50) HTR6HTR2ASIGMAR1KDM4ECYP2D6

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
EP-0569249-B1 Ethylene/alpha-olefin copolymers NIPPON OIL CO LTD (JP) 1997-08-06 EP disclosed
US-5391660-A Narrow molecular weight distribution by addition polymerizing a olefin or mixtures in a catalysts mixtures having metal compounds, halometal compound and alumoxanes NIPPON OIL COMPANY, LIMITED (JP) 1995-02-21 US disclosed
EP-0569249-A2 Ethylene/alpha-olefin copolymers NIPPON OIL COMPANY, LIMITED (JP) 1993-11-10 EP disclosed