SCHEMBL18900824

SCHEMBL18900824

C=c1c(=O)n(C(C(=O)O)c2ccccc2)nc(Cc2cn(C)c3cccc(C)c23)/c1=C/C=C\C

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 20/20 0.67
▸ CTSG P08311 1/20 0.39

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
SCHEMBL7951286 0.81 CMA1 (1.00) CMA1CTSG
SCHEMBL1851876 0.72 CMA1 (0.83) CMA1CTSG
SCHEMBL7961042 0.72 CMA1 (0.83) CMA1CTSG
SCHEMBL3418056 0.70 CMA1 (1.00) CMA1
SCHEMBL18900823 0.69 CMA1 (0.79) CMA1CTSG
SCHEMBL7951279 0.69 CMA1 (1.00) CMA1CTSG
SCHEMBL7960258 0.67 CMA1 (1.00) CMA1CTSG
SCHEMBL6115259 0.66 CMA1 (1.00) CMA1CTSG
SCHEMBL3679631 0.65 CMA1 (0.82) CMA1CTSG
SCHEMBL18900837 0.65 CMA1 (0.77) CMA1CTSG

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-2323991-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-31 — — EP disclosed
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