SCHEMBL7696533

SCHEMBL7696533

CC(=O)NCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C=Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 14/20 0.48
CTSB P07858 8/20 0.48
CTSL P07711 4/20 0.45
CTSS P25774 4/20 0.45
CTSK P43235 2/20 0.45
KMT2A Q03164 1/20 0.40

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
SCHEMBL7693583 0.90 CAPN1 (0.48) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL7690823 0.87 CAPN1 (0.60) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL7698037 0.87 CAPN1 (0.47) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL7697556 0.86 CAPN1 (0.53) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL7697277 0.85 CAPN1 (0.47) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL7696004 0.84 CAPN1 (0.46) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL7695603 0.81 CAPN1 (0.70) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL7698259 0.80 CAPN1 (0.61) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL7688883 0.79 CAPN1 (0.75) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL7697899 0.79 CAPN1 (0.53) CAPN1CTSBCTSLCTSSCTSK

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
US-6436925-B1 BETTER ABLE TO CROSS MEMBRANES; INHIBITORS OF CYSTEINE PROTEASES LIKE CALPAIN I AND II AND CATHEPSIN B AND L, CAN THUS BE USED TO CONTROL DISEASES ASSOCIATED WITH AN ELEVATED ACTIVITY OF CALPAIN ENZYMES OR CATHEPSIN ENZYMES ABBOTT LABORATORIES 2002-08-20 US disclosed