SCHEMBL8727415

SCHEMBL8727415

CCCCOc1ccccc1S(=O)(=O)N(c1cc(C)cc(OCCNc2ccnnc2)c1)C(C)(C)P(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.48
HPGD P15428 1/20 0.31
PRSS2 P07478 1/20 0.30
CTRC Q99895 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA1D P25100 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL8726814 0.96 F2 (0.48) F2PRSS2CTRC
SCHEMBL8726820 0.92 F2 (0.57) F2PRSS2CTRC
SCHEMBL7358686 0.92 F2 (0.57) F2HPGD
SCHEMBL8732126 0.89 F2 (0.48) F2PRSS2CTRCDRD2ADRA1D
SCHEMBL8729116 0.89 F2 (0.56) F2PRSS2CTRC
SCHEMBL8726838 0.89 F2 (0.56) F2PRSS2CTRC
SCHEMBL8726738 0.88 F2 (0.58) F2PRSS2CTRC
SCHEMBL8726659 0.85 F2 (0.58) F2PRSS2CTRC
SCHEMBL8726758 0.84 F2 (0.39) F2PRSS2CTRC
SCHEMBL8728910 0.84 F2 (0.39) F2PRSS2CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824679-A Phosphanoxides--preparation and use BOEHRINGER MANNHEIM GMBH (DE) 1998-10-20 US disclosed