SCHEMBL13940010

SCHEMBL13940010

NC1CC=C(P(=O)(O)I)C1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABBR1 Q9UBS5 3/20 0.69
GABRR1 P24046 4/20 0.43

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
SCHEMBL3894225 0.82 GABBR1 (1.00) GABBR1GABRR1
SCHEMBL3897695 0.82 GABBR1 (1.00) GABBR1GABRR1
SCHEMBL3900351 0.82 GABBR1 (1.00) GABBR1GABRR1
SCHEMBL3902522 0.76 GABBR1 (0.68) GABBR1GABRR1
SCHEMBL3892892 0.76 GABBR1 (0.68) GABBR1GABRR1
SCHEMBL3898966 0.71 GABBR1 (0.56) GABBR1GABRR1
SCHEMBL3898177 0.71 GABBR1 (0.60) GABBR1GABRR1
SCHEMBL3895243 0.71 GABBR1 (0.60) GABBR1GABRR1
SCHEMBL3894140 0.71 GABBR1 (0.60) GABBR1GABRR1
SCHEMBL13940011 0.70 GABBR1 (0.54) GABBR1GABRR1

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
EP-1773740-B1 NEUROLOGICALLY-ACTIVE COMPOUNDS UNIV SYDNEY (AU) 2009-02-18 EP disclosed