SCHEMBL6765301

SCHEMBL6765301

CCN(CCN(C)C)S(=O)(=O)c1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCCON2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.46
PRSS2 P07478 4/20 0.42
CTRC Q99895 4/20 0.42
RECQL P46063 1/20 0.41

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
SCHEMBL6764576 0.91 F2 (0.48) F2PRSS2CTRCRECQL
SCHEMBL6765120 0.88 F2 (0.47) F2PRSS2CTRCRECQL
SCHEMBL6749317 0.85 F2 (0.51) F2PRSS2CTRC
SCHEMBL6749509 0.84 F2 (0.63) F2PRSS2CTRCRECQL
SCHEMBL6752152 0.83 F2 (0.46) F2PRSS2CTRCRECQL
SCHEMBL6749611 0.81 F2 (0.41) F2PRSS2CTRC
Hydrochloric Acid SCHEMBL6747723 0.81 F2 (0.69) F2PRSS2
SCHEMBL6747914 0.80 F2 (0.64) F2PRSS2CTRCRECQL
SCHEMBL6750629 0.79 F2 (0.65) F2PRSS2CTRCRECQL
Hydrochloric Acid SCHEMBL6747721 0.79 F2 (0.49) 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 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 disclosed
US-6638931-B1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-10-28 US disclosed
US-6235778-B1 ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-22 US disclosed