SCHEMBL541148

SCHEMBL541148

NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccc(N3CCOCC3)cc2)n1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 20/20 0.83
▸ CTSS P25774 1/20 0.67

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 SCHEMBL541652 0.99 CAPN1 (0.82) CAPN1CTSS
SCHEMBL540734 0.94 CAPN1 (0.82) CAPN1CTSS
SCHEMBL541440 0.93 CAPN1 (0.75) CAPN1CTSS
SCHEMBL540731 0.93 CAPN1 (0.81) CAPN1CTSS
SCHEMBL540950 0.92 CAPN1 (0.79) CAPN1CTSS
SCHEMBL540853 0.91 CAPN1 (1.00) CAPN1
SCHEMBL1997716 0.90 CAPN1 (0.81) CAPN1
SCHEMBL1991775 0.90 CAPN1 (0.81) CAPN1
SCHEMBL1991772 0.90 CAPN1 (0.81) CAPN1
SCHEMBL541303 0.89 CAPN1 (1.00) CAPN1

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-2121653-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2012-02-08 — — EP claimed
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