SCHEMBL8064231

SCHEMBL8064231

O=C(Cn1c(-c2ccc(F)cc2)ncc(NC(=O)OCc2ccccc2)c1=O)NC(Cc1ccccc1)C(=O)c1nc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 18/20 0.66
CTRC Q99895 1/20 0.64
CTSG P08311 1/20 0.61
ELANE P08246 2/20 0.61

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
SCHEMBL8049020 0.91 CMA1 (0.75) CMA1CTRCCTSGELANE
SCHEMBL8060576 0.90 CMA1 (0.78) CMA1CTRCCTSG
SCHEMBL8061333 0.90 CMA1 (0.74) CMA1CTRCCTSG
SCHEMBL8444748 0.89 CMA1 (0.78) CMA1CTRCCTSGELANE
SCHEMBL7156029 0.88 CMA1 (0.78) CMA1CTSG
SCHEMBL8061814 0.88 ELANE (0.58) CMA1CTRCCTSGELANE
SCHEMBL8066009 0.87 CMA1 (0.68) CMA1CTRCCTSG
SCHEMBL8061868 0.87 CMA1 (0.78) CMA1CTRCCTSG
SCHEMBL8061805 0.86 CMA1 (0.62) CMA1CTRCCTSGELANE
SCHEMBL8066027 0.85 CMA1 (0.78) CMA1CTRCCTSGELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080738-A USEFUL AS CHYMASE INHIBITORS AND CAN BE USED FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II YOSHITOMI PHARMACEUTICALS INDUSTRIES, LTD. (JP) 2000-06-27 US disclosed
EP-0940400-A1 NOVEL HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USES THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-08 EP disclosed