SCHEMBL3645133

SCHEMBL3645133

CC(C)(CN)CN.CC(C)(N)CN

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.77
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL42682 0.88
SCHEMBL5574 0.88
Ammonia Solution, Strong SCHEMBL7741978 0.84
Ammonia Solution, Strong SCHEMBL4612126 0.84
Hydrochloric Acid SCHEMBL3062035 0.84
SCHEMBL23304291 0.84
SCHEMBL4204702 0.84
Hydrochloric Acid SCHEMBL7805756 0.84
SCHEMBL4284210 0.84
Iodide SCHEMBL7460413 0.84 CYP2D6 (0.50) CYP2D6KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO disclosed
EP-2178938-A1 FOAM CURABLE BY HEAT Sika Technology AG (CH) 2010-04-28 EP disclosed
WO-2009010526-A1 FOAM CURABLE BY HEAT SIKA TECHNOLOGY AG (CH) 2009-01-22 WO disclosed