SCHEMBL9862838

SCHEMBL9862838

C=CCOc1cc(-n2nc3c([n+]2[O-])CCCC3)c(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPOX P50336 13/20 0.50
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL9857407 0.84 PPOX (0.35) PPOX
SCHEMBL9857876 0.83 PPOX (0.43) PPOXHTR2CHTR2B
SCHEMBL10824231 0.81 PPOX (0.38) PPOX
SCHEMBL9858016 0.77 ALDH1A1 (0.31)
SCHEMBL8076304 0.70 PPOX (0.71) PPOX
SCHEMBL10846645 0.67 PPOX (0.40) PPOX
SCHEMBL10846642 0.67 PPOX (0.40) PPOX
SCHEMBL9661657 0.66 PPOX (0.46) PPOXHTR2CHTR2BADRA2AADRA2B
SCHEMBL7674938 0.64 PPOX (0.44) PPOXHTR2CHTR2BADRA2AADRA2B
SCHEMBL10931490 0.64 PPOX (0.40) PPOX

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0142769-B1 TETRAHYDROBENZOTRIAZOLES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-02 EP claimed
US-4668278-A Benzotriazoles, and their production and use 4-halophenyl-tetrahydrobenzotriazloes as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-26 US claimed
EP-0142769-B1 TETRAHYDROBENZOTRIAZOLES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-02 EP disclosed
US-4740619-A HERBILIDE INTERMEDIATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-04-26 US disclosed
US-4668278-A Benzotriazoles, and their production and use 4-halophenyl-tetrahydrobenzotriazloes as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-26 US disclosed
EP-0142769-A2 Tetrahydrobenzotriazoles, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-05-29 EP disclosed