SCHEMBL7965289

SCHEMBL7965289

CC(=O)C(=O)C(Cc1cccc(C)c1)NC(=O)Cn1c(-c2ccccc2)ncc(N)c1=O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 18/20 0.73
CMA1 P23946 18/20 0.73

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
SCHEMBL7951168 0.91 CMA1 (0.66) CTRCCMA1
SCHEMBL7950667 0.91 CMA1 (0.63) CTRCCMA1
SCHEMBL7962742 0.87 CMA1 (0.61) CTRCCMA1
SCHEMBL6556475 0.84 CTRC (1.00) CTRCCMA1
SCHEMBL5728755 0.84 CMA1 (0.74) CTRCCMA1
SCHEMBL5728762 0.84 CMA1 (0.74) CTRCCMA1
SCHEMBL6558267 0.81 CTRC (1.00) CTRCCMA1
SCHEMBL6558270 0.81 CTRC (1.00) CTRCCMA1
SCHEMBL6558220 0.81 CTRC (0.91) CTRCCMA1
SCHEMBL8404958 0.81 CTRC (0.90) CTRCCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271238-B1 USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US claimed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP claimed
US-6271238-B1 USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed