SCHEMBL7442091

SCHEMBL7442091

Cc1cc(OCC2CCCNC2)cc(OS(=O)(=O)c2ccccc2Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.66
CTRC Q99895 6/20 0.66
PRSS2 P07478 6/20 0.63
F10 P00742 3/20 0.63

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
SCHEMBL7445929 0.89 F2 (0.60) F2CTRCPRSS2F10
SCHEMBL6553019 0.88 F2 (0.73) F2CTRCPRSS2F10
SCHEMBL7602897 0.79 F2 (0.73) F2CTRCPRSS2F10
SCHEMBL7451490 0.78 F2 (0.70) F2CTRCPRSS2F10
Hydrochloric Acid SCHEMBL7451487 0.77 F2 (0.69) F2CTRCPRSS2F10
SCHEMBL7440084 0.77 F2 (1.00) F2CTRCPRSS2F10
SCHEMBL7602926 0.77 F2 (0.73) F2CTRCPRSS2F10
Hydrochloric Acid SCHEMBL6553152 0.76 F2 (0.98) F2CTRCPRSS2F10
SCHEMBL7446067 0.76 F2 (1.00) F2CTRCPRSS2F10
SCHEMBL7451365 0.76 F2 (0.67) F2CTRCPRSS2F10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859607-B1 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-12-18 EP disclosed
EP-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP disclosed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP disclosed
US-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 US disclosed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO disclosed