SCHEMBL7960338

SCHEMBL7960338

Nc1cnc(-c2ccccc2)n(CC(=O)NC(Cc2cccc(-c3ccccc3)c2)C(=O)C=O)c1=O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 18/20 0.64
CTRC Q99895 12/20 0.64

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
SCHEMBL5728762 0.85 CMA1 (0.74) CMA1CTRC
SCHEMBL5728755 0.85 CMA1 (0.74) CMA1CTRC
SCHEMBL6558220 0.82 CTRC (0.91) CMA1CTRC
Hydrochloric Acid SCHEMBL5728980 0.81 CMA1 (0.68) CMA1CTRC
Hydrochloric Acid SCHEMBL5728984 0.81 CMA1 (0.68) CMA1CTRC
SCHEMBL7965289 0.80 CTRC (0.73) CMA1CTRC
SCHEMBL4458937 0.80 CTRC (0.83) CMA1CTRC
SCHEMBL7951168 0.79 CMA1 (0.66) CMA1CTRC
SCHEMBL7950667 0.79 CMA1 (0.63) CMA1CTRC
SCHEMBL6556162 0.79 CTRC (0.85) CMA1CTRC

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-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
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