SCHEMBL7677091

SCHEMBL7677091

CCOC(=O)C1(C2c3[nH]c4ccc(OC)cc4c3CCN2C)CCCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.58
KMT2A Q03164 2/20 0.51
SIRT1 Q96EB6 1/20 0.48
MAPKAPK5 Q8IW41 1/20 0.46
TP53 P04637 4/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KIF11 P52732 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
SLC6A4 P31645 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43

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
SCHEMBL7677053 0.98 MAPKAPK2 (0.58) MAPKAPK2KMT2ASIRT1MAPKAPK5TP53
SCHEMBL7677047 0.88 MEN1 (0.55) MAPKAPK2KMT2ASIRT1TP53MAPT
SCHEMBL7855814 0.88 MAPKAPK2 (0.66) MAPKAPK2SIRT1MAPKAPK5TP53MAPT
SCHEMBL7681030 0.88 MAPKAPK2 (0.52) MAPKAPK2KMT2ASIRT1MAPKAPK5TP53
Hydrochloric Acid SCHEMBL7674550 0.86 MEN1 (0.53) MAPKAPK2KMT2ASIRT1TP53MAPT
SCHEMBL7854483 0.86 MAPKAPK2 (0.66) MAPKAPK2SIRT1MAPKAPK5TP53MAPT
Hydrochloric Acid SCHEMBL7675423 0.85 MEN1 (0.54) MAPKAPK2KMT2ASIRT1TP53MAPT
SCHEMBL7683814 0.85 ADRA1A (0.47) KMT2ATP53MAPTABCG2
SCHEMBL7680650 0.83 MAPT (0.46) MAPKAPK2KMT2ATP53MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7676819 0.81 KMT2A (0.64) MAPKAPK2KMT2ASIRT1MAPKAPK5MAPT

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-6350757-B1 Beta-carboline compounds LES LABORATOIRES SERVIER (FR) 2002-02-26 US disclosed