SCHEMBL16551385

SCHEMBL16551385

CCCCC(NC(=O)c1cccnc1-n1cnc(-c2ccccc2Cl)c1)C(=O)C(N)=O

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 20/20 0.80
▸ CTSS P25774 2/20 0.43

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
Hydrochloric Acid SCHEMBL541237 0.99 CAPN1 (0.79) CAPN1CTSS
SCHEMBL540966 0.89 CAPN1 (1.00) CAPN1CTSS
SCHEMBL540969 0.87 CAPN1 (0.87) CAPN1CTSS
SCHEMBL541139 0.87 CAPN1 (0.82) CAPN1CTSS
SCHEMBL2718056 0.86 CAPN1 (0.80) CAPN1CTSS
Hydrochloric Acid SCHEMBL540747 0.86 CAPN1 (0.79) CAPN1CTSS
SCHEMBL541344 0.84 CAPN1 (0.87) CAPN1CTSS
SCHEMBL541511 0.83 CAPN1 (0.84) CAPN1CTSS
SCHEMBL2715422 0.82 CAPN1 (0.54) CAPN1CTSS
SCHEMBL16551503 0.82 CAPN1 (0.83) CAPN1CTSS

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-2439205-B1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND (DE) 2015-03-11 — — EP claimed
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