SCHEMBL20122653

SCHEMBL20122653

CC(C)c1cc(/C=C/C(C)(C)C)ccn1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.31

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
SCHEMBL27435543 0.80 CNR2 (0.37) CHRNA7
SCHEMBL16454308 0.77 UHRF1 (0.43)
SCHEMBL17816205 0.75 LMNA (0.36)
SCHEMBL7425838 0.75 FDPS (0.41) CHRNA7
SCHEMBL7425836 0.75 FDPS (0.41) CHRNA7
SCHEMBL7427768 0.74 TYR (0.42) CHRNA7
SCHEMBL23015672 0.72 PELI1 (0.38) CHRNA7
SCHEMBL13508334 0.69 MAPT (0.47)
SCHEMBL30176825 0.68 ADRB2 (0.41) CHRNA7
SCHEMBL12775817 0.68 ADRB2 (0.41) CHRNA7

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-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed