SCHEMBL6674904

SCHEMBL6674904

CCNC(=N)Nc1ccc(N(C)CC)c(CN)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 1/20 0.32
AOC3 Q16853 1/20 0.32

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
Hydrochloric Acid SCHEMBL6680940 0.99 AOC1 (0.34) AOC1AOC3
SCHEMBL6676319 0.89 NR1H4 (0.35)
Hydrochloric Acid SCHEMBL7236369 0.88 NR1H4 (0.34) AOC1AOC3
SCHEMBL6675976 0.85 NR1H4 (0.37)
Hydrochloric Acid SCHEMBL6674491 0.84 NR1H4 (0.36)
SCHEMBL6681980 0.83 ALDH1A1 (0.35)
Hydrochloric Acid SCHEMBL7241201 0.82 ALDH1A1 (0.34)
SCHEMBL27577233 0.82 AOC1 (0.31) AOC1AOC3
SCHEMBL6676315 0.80 CYP1A2 (0.36)
SCHEMBL6678172 0.80 ALDH1A1 (0.34)

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-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed