SCHEMBL3713862

SCHEMBL3713862

NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-c1nc2ccccc2o1.NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1cccnc1-c1nc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 20/20 0.58
CTSS P25774 2/20 0.48

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
SCHEMBL2803110 0.93 CAPN1 (0.66) CAPN1CTSS
SCHEMBL2800741 0.93 CAPN1 (0.47) CAPN1
SCHEMBL3711942 0.82 CAPN1 (0.87) CAPN1CTSS
SCHEMBL2802327 0.76 CAPN1 (0.86) CAPN1CTSS
SCHEMBL2801618 0.75 CAPN1 (0.75) CAPN1CTSS
SCHEMBL2803091 0.74 ALDH1A1 (0.58) CAPN1
SCHEMBL2798791 0.74 CAPN1 (0.61) CAPN1CTSS
SCHEMBL2800991 0.74 CAPN1 (0.71) CAPN1CTSS
SCHEMBL2800282 0.74 PYGL (0.47) CAPN1
SCHEMBL2800351 0.74 CAPN1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398783-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2011-12-28 EP disclosed
WO-2010094755-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-08-26 WO disclosed