SCHEMBL6761691

SCHEMBL6761691

CCOC(=O)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCCON=C(N)N)c1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.61

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
Hydrochloric Acid SCHEMBL7931349 0.99 F2 (0.60) F2
Hydrochloric Acid SCHEMBL6747586 0.99 F2 (0.60) F2
Hydrochloric Acid SCHEMBL6747650 0.90 F2 (0.69) F2
SCHEMBL6752262 0.88 F2 (0.46) F2
Hydrochloric Acid SCHEMBL6746013 0.87 F2 (0.45) F2
Hydrochloric Acid SCHEMBL7931347 0.87 F2 (0.45) F2
SCHEMBL6746189 0.84 F2 (0.63) F2
Hydrochloric Acid SCHEMBL6747709 0.84 F2 (0.62) F2
SCHEMBL6747417 0.83 F2 (0.74) F2
SCHEMBL7676597 0.82 F2 (0.62) F2

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-6730783-B2 REACTING AMINOGUANIDINE WITH CARBONYL COMPOUND TO FORM AMIDINOHYDRAZONE; REDUCTION; REACTING WITH ALKOXYAMINE; GUANIDINYLATION; ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-05-04 US claimed
US-6638931-B1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-10-28 US claimed
EP-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP claimed