SCHEMBL18900823

SCHEMBL18900823

Cc1cccc2c1c(Cc1nn(C(C)c3ccccc3)c(=O)c3ccccc13)cn2C

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 14/20 0.79
▸ CTSG P08311 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ADORA1 P30542 2/20 0.39
▸ ADORA3 P0DMS8 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 0.88 CMA1 (1.00) CMA1CTSGPOLB
SCHEMBL18900837 0.86 CMA1 (0.77) CMA1CTSGPOLB
SCHEMBL1851876 0.85 CMA1 (0.83) CMA1CTSG
SCHEMBL7961042 0.85 CMA1 (0.83) CMA1CTSGPOLB
SCHEMBL7951279 0.83 CMA1 (1.00) CMA1CTSG
SCHEMBL18900941 0.81 CMA1 (0.79) CMA1CTSG
SCHEMBL7960258 0.80 CMA1 (1.00) CMA1CTSG
SCHEMBL6115259 0.80 CMA1 (1.00) CMA1CTSG
SCHEMBL7960485 0.80 CMA1 (0.84) CMA1CTSG
SCHEMBL18900937 0.78 CMA1 (0.73) CMA1POLB

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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