SCHEMBL8292292

SCHEMBL8292292

C=CC(c1nc(C2CC2)no1)[C@@H](N)CC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
POLB P06746 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
SCHEMBL3870480 0.78 POLB (0.34) POLB
SCHEMBL3870481 0.78 POLB (0.34) POLB
SCHEMBL8362651 0.78 POLB (0.34) POLB
Hydrochloric Acid SCHEMBL3870064 0.77 POLB (0.33) POLB
Hydrochloric Acid SCHEMBL3870061 0.77 POLB (0.33) POLB
SCHEMBL13827635 0.72 POLB (0.40) POLB
SCHEMBL469197 0.72 POLB (0.40) POLB
Hydrochloric Acid SCHEMBL20559927 0.71 IDH1 (0.36) POLB
Hydrochloric Acid SCHEMBL20559925 0.71 IDH1 (0.36) POLB
SCHEMBL5565029 0.69 IDH1 (0.36) POLB

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
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 WO disclosed