SCHEMBL8025879

SCHEMBL8025879

COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C1CC1)C3C

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.59
MAPT P10636 4/20 0.56
TP53 P04637 4/20 0.56
SIRT1 Q96EB6 1/20 0.55
MAPKAPK5 Q8IW41 1/20 0.53
ALDH1A1 P00352 1/20 0.52
HTR2B P41595 1/20 0.52
ABCG2 Q9UNQ0 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ABCB1 P08183 1/20 0.48
BAZ2B Q9UIF8 1/20 0.47
KIF11 P52732 1/20 0.47

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
SCHEMBL9401140 0.89 MAPKAPK2 (0.61) MAPKAPK2MAPTTP53SIRT1MAPKAPK5
SCHEMBL2707877 0.88 MAPKAPK2 (0.62) MAPKAPK2MAPTTP53SIRT1MAPKAPK5
SCHEMBL6242196 0.84 MAPKAPK2 (0.58) MAPKAPK2MAPTTP53SIRT1MAPKAPK5
SCHEMBL8025885 0.83 MAPKAPK2 (0.56) MAPKAPK2MAPTTP53SIRT1MAPKAPK5
SCHEMBL28468251 0.79 MAPKAPK2 (0.52) MAPKAPK2MAPTTP53SIRT1MAPKAPK5
SCHEMBL30618016 0.79 MAPT (0.55) MAPKAPK2MAPTTP53ALDH1A1ABCG2
SCHEMBL15241465 0.79 MAPT (0.55) MAPKAPK2MAPTTP53ALDH1A1ABCG2
SCHEMBL28468254 0.78 KIF11 (0.52) MAPKAPK2MAPTTP53SIRT1MAPKAPK5
SCHEMBL30196665 0.78 BCHE (0.54) MAPKAPK2MAPTTP53SIRT1MAPKAPK5
SCHEMBL7850958 0.78 MAPKAPK2 (0.53) MAPKAPK2MAPTTP53SIRT1MAPKAPK5

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-6048868-A CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS; ANTIDEPRESSANTS CEMAF (FR) 2000-04-11 US disclosed