SCHEMBL11515877

SCHEMBL11515877

CCC1c2nc[nH]c2CCN1C(N)=NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.41

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
Bromide SCHEMBL11517894 0.99 AOC3 (0.40) AOC3
Bromide SCHEMBL11516455 0.84 AOC3 (0.37) AOC3
Hydrochloric Acid SCHEMBL11514974 0.80 AOC3 (0.39) AOC3
SCHEMBL11518518 0.77 AOC3 (0.45) AOC3
SCHEMBL11516165 0.74 AOC3 (0.43) AOC3
SCHEMBL11515470 0.74 SMN1; SMN2 (0.39) AOC3
SCHEMBL7534329 0.74 AOC3 (0.48) AOC3
SCHEMBL12082694 0.72 AOC3 (0.36) AOC3
Trifluoroacetic Acid SCHEMBL7572001 0.71 AOC3 (0.43) AOC3
SCHEMBL7534337 0.70 AOC3 (0.56) AOC3

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-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US disclosed