SCHEMBL8670943

SCHEMBL8670943

c1c[nH]c(NCCNc2ncc[nH]2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.44
ADRA2C P18825 8/20 0.44
ADRA1D P25100 6/20 0.44
ADRA1A P35348 6/20 0.44
ADRA1B P35368 6/20 0.44
TERT O14746 1/20 0.44
FDPS P14324 1/20 0.42
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
ITGAV P06756 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
SCHEMBL11370026 0.88 HRH3 (0.42) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL6977932 0.87
SCHEMBL1018955 0.87
SCHEMBL8056833 0.87
SCHEMBL14107750 0.86 ADRA2A (0.36) ADRA2AADRA2CADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7535657 0.85 ADRA2A (0.38) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL14082922 0.84 ADRA2A (0.35) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL4724432 0.83 BCHE (0.46) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1127484 0.82 CYP1A2 (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL7406982 0.81

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-0788458-B1 METHOD FOR THE CATALYTIC DISPROPORTIONATION OF HYDROPEROXIDES AND PEROXIDES IN AQUEOUS MEDIA ELF AQUITAINE (FR) 1998-12-16 EP disclosed
EP-0788458-A1 METHOD FOR THE CATALYTIC DISPROPORTIONATION OF HYDROPEROXIDES AND PEROXIDES IN AQUEOUS MEDIA ELF AQUITAINE (FR) 1997-08-13 EP disclosed
WO-1996012672-A1 METHOD FOR THE CATALYTIC DISPROPORTIONATION OF HYDROPEROXIDES AND PEROXIDES IN AQUEOUS MEDIA ELF AQUITAINE (FR) 1996-05-02 WO disclosed