SCHEMBL7374256

SCHEMBL7374256

COCCOCC(O)CN(c1cc(C)cc(OCCNc2ccnnc2)c1)S(=O)(=O)c1ccccc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.59
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.35
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
PDE4D Q08499 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL7379123 0.99 F2 (0.58) F2LMNAHTTGAAHPGD
SCHEMBL8649210 0.94 F2 (0.60) F2LMNAHTTGAAHPGD
SCHEMBL8650605 0.92 F2 (0.59) F2LMNAHTTGAAHPGD
SCHEMBL7409794 0.91 F2 (0.63) F2LMNAHTTGAAHPGD
SCHEMBL8648601 0.90 F2 (0.59) F2LMNAHTTGAAHPGD
SCHEMBL7411909 0.88 F2 (0.61) F2LMNAHPGD
SCHEMBL7372654 0.86 F2 (0.54) F2LMNAHTTGAAHPGD
SCHEMBL8664965 0.86 F2 (0.62) F2HPGD
SCHEMBL7371001 0.84 F2 (0.69) F2HPGD
SCHEMBL7412092 0.84 F2 (0.53) F2LMNAHTTGAAHPGD

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-5795892-A ANTICOAGULANTS BOEHRINGER MANNEIM GMBH (DE) 1998-08-18 US disclosed
EP-0778829-A1 NOVEL 4-AMINOPYRIDAZINES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1997-06-18 EP disclosed
WO-1996006832-A1 NOVEL 4-AMINOPYRIDAZINES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1996-03-07 WO disclosed