Sugi Predict

Sugi Predict / Compounds / SCHEMBL7355384

SCHEMBL7355384

SCHEMBL7355384

CC(C)N1C(=O)CCC(NC(=O)c2nccc3ccccc23)C(=O)N1CC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 8/20 0.48
▸ CASP8 Q14790 5/20 0.48
▸ CASP3 P42574 2/20 0.48
▸ CCKBR P32239 1/20 0.45

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
SCHEMBL6159334 0.89 CASP1 (0.49) CASP1CASP8CASP3CCKBR
SCHEMBL6159850 0.88 CASP1 (0.47) CASP1CASP8CASP3CCKBR
SCHEMBL7360315 0.82 CASP1 (0.50) CASP1CASP8CASP3
SCHEMBL6159890 0.75 CASP1 (0.52) CASP1CASP8CASP3
SCHEMBL2364341 0.73 CASP1 (0.81) CASP1CASP8CASP3
SCHEMBL7360318 0.73 CASP1 (0.49) CASP1CASP8CASP3
SCHEMBL6159729 0.70 CASP1 (0.63) CASP1CASP8CASP3
SCHEMBL6158230 0.69 CASP1 (0.64) CASP1CASP8CASP3
SCHEMBL6296035 0.67 CASP1 (0.72) CASP1CASP8CASP3
SCHEMBL5903032 0.67 CASP1 (0.64) CASP1CASP8CASP3

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-1062210-A1 1,2-DIAZEPANE DERIVATIVES AS INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2000-12-27 — — EP disclosed
WO-1999046248-A1 1,2-DIAZEPANE DERIVATIVES AS INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-09-16 — — WO disclosed