SCHEMBL8401770

SCHEMBL8401770

CN1CCC=C(c2cnoc2NCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRM1 P11229 3/20 0.39
HTR2A P28223 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
PKM P14618 1/20 0.36

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
Oxalic Acid SCHEMBL8401964 0.95 CHRM2 (0.44) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL7419072 0.83 CHRM2 (0.46) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8406643 0.81 CHRM2 (0.44) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8404872 0.80 CHRM1 (0.41) CHRM1HTR2ACHRNB2CHRNA4CHRM2
Oxalic Acid SCHEMBL7424487 0.79 CHRM2 (0.52) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8406017 0.79 CHRM2 (0.46) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8405398 0.79 CHRM2 (0.43) CHRM1HTR2ACHRNB2CHRNA4CHRM2
SCHEMBL8402127 0.78 CHRM1 (0.46) CHRM1CHRM2CHRM4CHRM5CHRM3
Oxalic Acid SCHEMBL7477838 0.77 CHRM2 (0.50) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8404876 0.77 CHRM1 (0.39) CHRM1HTR2ACHRNB2CHRNA4CHRM2

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-5994373-A COGNITION ACTIVATORS; GASTROINTESTINAL DISORDERS; PSYCHOLOGICAL DISORDERS NOVO NORDISK A/S NOVO ALLE DK 2880 (DK) 1999-11-30 US claimed