SCHEMBL6888652

SCHEMBL6888652

Cc1cc(OCCCON=C(N)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.53
CTRC Q99895 3/20 0.44
PRSS2 P07478 3/20 0.43

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
SCHEMBL7931209 1.00 F2 (0.53) F2CTRCPRSS2
SCHEMBL6890605 0.90 F2 (0.52) F2CTRCPRSS2
SCHEMBL6747829 0.87 F2 (0.69) F2PRSS2
Hydrochloric Acid SCHEMBL6749357 0.86 F2 (0.68) F2PRSS2
SCHEMBL7931220 0.86 F2 (0.44) F2CTRCPRSS2
SCHEMBL7931212 0.80 F2 (0.40) F2CTRCPRSS2
SCHEMBL6747827 0.79 F2 (0.51) F2CTRCPRSS2
SCHEMBL6745960 0.78 F2 (0.76) F2PRSS2
SCHEMBL6745985 0.78 F2 (0.73) F2PRSS2
SCHEMBL6749901 0.78 F2 (0.67) F2PRSS2

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