SCHEMBL8732126

SCHEMBL8732126

Cc1cc(OCCNc2ccnnc2)cc(N(C(C)(C)P(=O)=O)S(=O)(=O)c2ccccc2OC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.48
HTR7 P34969 4/20 0.32
ADRA1D P25100 2/20 0.32
HTR2C P28335 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
DRD2 P14416 1/20 0.32
PRSS2 P07478 1/20 0.30
CTRC Q99895 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
SCHEMBL7358686 0.92 F2 (0.57) F2
SCHEMBL8726622 0.92 F2 (0.57) F2PRSS2CTRC
SCHEMBL8726814 0.90 F2 (0.48) F2PRSS2CTRC
SCHEMBL8727415 0.89 F2 (0.48) F2HTR7ADRA1DHTR2CADRA1A
SCHEMBL8729919 0.85 F2 (0.43) F2PRSS2CTRC
SCHEMBL8732116 0.84 F2 (0.39) F2PRSS2CTRC
SCHEMBL8733780 0.84 F2 (0.39) F2PRSS2CTRC
SCHEMBL7372831 0.84 F2 (0.54) F2HTR7ADRA1DHTR2CADRA1A
SCHEMBL8726747 0.83 F2 (0.41) F2PRSS2CTRC
SCHEMBL8728985 0.83 F2 (0.68) 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
EP-0778839-B1 NOVEL PHOSPHANE OXIDES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1998-12-23 EP disclosed