SCHEMBL2053047

SCHEMBL2053047

O=C(O)C(O)C(Cc1ccccc1)NCc1cccnc1-n1cc(F)c(-c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 18/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2052420 0.89 CAPN1 (0.38) CAPN1ALDH1A1
SCHEMBL1992956 0.84 CAPN1 (0.50) CAPN1
SCHEMBL2051517 0.82 CAPN1 (0.53) CAPN1
SCHEMBL2046422 0.80 CAPN1 (0.55) CAPN1
SCHEMBL2048051 0.80 CAPN1 (0.53) CAPN1
SCHEMBL2047939 0.78 CAPN1 (0.47) CAPN1
SCHEMBL1994167 0.74 CAPN1 (0.53) CAPN1
SCHEMBL1996199 0.74 CAPN1 (0.48) CAPN1
SCHEMBL1992804 0.74 CAPN1 (0.55) CAPN1
SCHEMBL1986120 0.73 CAPN1 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516393-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2012-10-31 EP disclosed
WO-2011076811-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-06-30 WO disclosed