SCHEMBL12065147

SCHEMBL12065147

CCCC(C#N)(CCC)NC

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.44

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
SCHEMBL4894125 0.85 PDE4A (0.35) PDE4A
SCHEMBL4895779 0.81 EPHX1 (0.36) PDE4A
SCHEMBL5475632 0.78
SCHEMBL18801013 0.72
SCHEMBL27969171 0.68 PDE4A (0.34) PDE4A
SCHEMBL1341781 0.65 ALDH1A1 (0.33)
SCHEMBL11158159 0.65 ALDH1A1 (0.33)
SCHEMBL5039648 0.65 ALDH1A1 (0.33)
SCHEMBL26618853 0.63 PDE4A (0.30) PDE4A
SCHEMBL14908 0.63

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-2011147038-A1 HETEROCYCLYL-PYRIDINYL-BASED BIPHOSPHONIC ACID, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2011-12-01 WO disclosed