SCHEMBL8404872

SCHEMBL8404872

CN1CCC=C(c2cnoc2NCC#N)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.41
CHRM2 P08172 6/20 0.38
CHRM3 P20309 6/20 0.38
CHRM4 P08173 4/20 0.38
CHRM5 P08912 4/20 0.38
HTR2A P28223 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 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 SCHEMBL8405403 0.93 CHRM2 (0.46) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL8404876 0.89 CHRM1 (0.39) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL7419072 0.86 CHRM2 (0.46) CHRM1CHRM2CHRM3CHRM4CHRM5
Oxalic Acid SCHEMBL8405402 0.84 CHRM2 (0.43) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL8406643 0.84 CHRM2 (0.44) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL8406017 0.81 CHRM2 (0.46) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL8405398 0.81 CHRM2 (0.43) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL8402127 0.81 CHRM1 (0.46) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL8401818 0.80 CHRM1 (0.48) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL8401770 0.80 CHRNB4 (0.41) CHRM1CHRM2CHRM3CHRM4CHRM5

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