SCHEMBL7419196

SCHEMBL7419196

CC(=O)N(C(=O)C(C(N)=O)C1CCCCC1)C1(C#N)CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32

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
SCHEMBL7420833 0.75 L3MBTL1 (0.41) EPHX1
SCHEMBL6371524 0.71 L3MBTL1 (0.40) EPHX1
Hydrochloric Acid SCHEMBL7418337 0.70 CTSS (0.40) EPHX1
SCHEMBL7013068 0.67 CTSS (0.48) EPHX1
SCHEMBL7014390 0.65 L3MBTL1 (0.43) EPHX1
SCHEMBL7412211 0.65 CTSK (0.32)
SCHEMBL5927948 0.63 EPHX1 (0.65) EPHX1
SCHEMBL5927952 0.63 EPHX1 (0.65) EPHX1
SCHEMBL8296553 0.63 DPP4 (0.40)
SCHEMBL14311888 0.62 CPN1 (0.40) EPHX1

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-1218372-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-07-03 EP disclosed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 WO disclosed