SCHEMBL6765222

SCHEMBL6765222

Cc1cc(OCCCO[N+](C)=C(N)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.58
CTRC Q99895 2/20 0.48
PRSS2 P07478 2/20 0.47

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
SCHEMBL6753369 0.82 F2 (0.55) F2CTRCPRSS2
SCHEMBL6747392 0.75 F2 (0.72) F2CTRCPRSS2
SCHEMBL6751458 0.75 F2 (0.59) F2CTRCPRSS2
SCHEMBL5673644 0.74 F2 (0.70) F2CTRCPRSS2
SCHEMBL7649323 0.74 F2 (1.00) F2
SCHEMBL6747726 0.74 F2 (0.52) F2CTRCPRSS2
SCHEMBL7649320 0.73 F2 (0.69) F2CTRCPRSS2
Hydrochloric Acid SCHEMBL6750467 0.73 F2 (0.98) F2
SCHEMBL6747855 0.73 F2 (0.68) F2
SCHEMBL6748096 0.73 F2 (0.68) F2CTRCPRSS2

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-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