SCHEMBL7676597

SCHEMBL7676597

CCOC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCCON=C(N)N)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.62
PRSS2 P07478 1/20 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
Hydrochloric Acid SCHEMBL6747656 0.99 F2 (0.61) F2PRSS2
SCHEMBL6747898 0.92 F2 (0.66) F2PRSS2
SCHEMBL7646677 0.88 F2 (0.67) F2PRSS2
Hydrochloric Acid SCHEMBL6750701 0.88 F2 (0.66) F2PRSS2
SCHEMBL7676592 0.87 F2 (0.49) F2PRSS2
Hydrochloric Acid SCHEMBL6747655 0.87 F2 (0.48) F2PRSS2
Hydrochloric Acid SCHEMBL6747650 0.86 F2 (0.69) F2PRSS2
Hydrochloric Acid SCHEMBL6749548 0.84 F2 (0.42) F2PRSS2
SCHEMBL6747417 0.83 F2 (0.74) F2PRSS2
SCHEMBL6750747 0.83 F2 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP claimed