SCHEMBL7435774

SCHEMBL7435774

CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)Cn1nnnc1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.41
CTSD P07339 3/20 0.37
REN P00797 2/20 0.36
BACE1 P56817 5/20 0.35
CCKBR P32239 1/20 0.33

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
SCHEMBL7436074 0.91 CASP1 (0.48) CASP1CTSD
Hydrochloric Acid SCHEMBL7438675 0.90 CASP1 (0.47) CASP1CTSD
SCHEMBL7432245 0.90 CASP1 (0.42) CASP1RENBACE1CCKBR
SCHEMBL7440137 0.87 CASP1 (0.42) CASP1RENBACE1CCKBR
SCHEMBL7437728 0.80 CASP1 (0.49) CASP1
SCHEMBL7427145 0.79 CASP1 (0.49) CASP1
SCHEMBL7427132 0.79 CASP1 (0.51) CASP1RENBACE1
SCHEMBL7429213 0.78 CASP1 (0.42) CASP1RENBACE1
SCHEMBL7429909 0.78 CASP1 (0.48) CASP1
SCHEMBL7431671 0.78 CASP1 (0.49) CASP1

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
US-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed