SCHEMBL2845814

SCHEMBL2845814

NC(=O)C1C[CH]CN1CCO

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.30

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
SCHEMBL2688583 0.82 HTT (0.34) HTT
SCHEMBL15050027 0.80 HSD11B1 (0.34)
SCHEMBL2848744 0.80 OPRM1 (0.34)
SCHEMBL15808505 0.72
SCHEMBL2687429 0.70
SCHEMBL5216741 0.68 HTT (0.49) HTT
SCHEMBL3276057 0.68 HTT (0.49) HTT
SCHEMBL3740451 0.68 HTT (0.49) HTT
SCHEMBL3963948 0.67 SMN1; SMN2 (0.36)
SCHEMBL2803851 0.67

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
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US claimed