SCHEMBL7606269

SCHEMBL7606269

COC(=O)C(C)N(c1cc(C)cc(OCCc2ccc(C(=N)N)cc2)c1)S(=O)(=O)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 15/20 0.51
▸ F10 P00742 4/20 0.51
▸ CTRC Q99895 4/20 0.42
▸ CACNA1B Q00975 2/20 0.39
▸ PRSS2 P07478 4/20 0.39
▸ PRSS1 P07477 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ LMNA P02545 1/20 0.36

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
SCHEMBL7608549 0.94 F2 (0.53) F2F10CTRCCACNA1BPRSS2
SCHEMBL5866351 0.94 F2 (0.54) F2F10CTRCCACNA1BPRSS2
SCHEMBL5866158 0.92 F2 (0.52) F2F10CTRCCACNA1BPRSS2
SCHEMBL5866246 0.88 F2 (0.51) F2F10CTRCCACNA1BPRSS2
SCHEMBL5866097 0.88 F2 (0.51) F2F10CTRCCACNA1BPRSS2
SCHEMBL7611244 0.87 F2 (0.51) F2F10CTRCCACNA1BPRSS2
Hydrochloric Acid SCHEMBL5866102 0.87 F2 (0.50) F2F10CTRCCACNA1BPRSS2
SCHEMBL5866271 0.87 F2 (0.50) F2F10CTRCCACNA1BPRSS2
SCHEMBL5866121 0.86 F2 (0.49) F2F10CTRCCACNA1BPRSS2
SCHEMBL5866114 0.86 F2 (0.49) F2F10CTRCCACNA1BPRSS2

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-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 — — EP claimed
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