SCHEMBL6556162

SCHEMBL6556162

Nc1ccc(-c2ncc(N)c(=O)n2CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)F)cc1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 20/20 0.85
CMA1 P23946 18/20 0.85
CTSG P08311 1/20 0.69

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
SCHEMBL6558220 0.96 CTRC (0.91) CTRCCMA1CTSG
SCHEMBL8404958 0.94 CTRC (0.90) CTRCCMA1
SCHEMBL6556138 0.94 CTRC (0.83) CTRCCMA1CTSG
SCHEMBL4458937 0.94 CTRC (0.83) CTRCCMA1CTSG
SCHEMBL6556461 0.94 CMA1 (0.84) CTRCCMA1
SCHEMBL6558180 0.93 CTRC (0.82) CTRCCMA1CTSG
SCHEMBL6558150 0.92 CTRC (0.84) CTRCCMA1CTSG
SCHEMBL6556475 0.92 CTRC (1.00) CTRCCMA1
SCHEMBL6555873 0.90 CTRC (0.81) CTRCCMA1
SCHEMBL6556292 0.90 CTRC (0.81) CTRCCMA1CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
US-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 EP disclosed