SCHEMBL8039623

SCHEMBL8039623

COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CCCC31

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 1/20 0.56
▸ MAPKAPK2 P49137 6/20 0.54
▸ MAPT P10636 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ MAPKAPK5 Q8IW41 1/20 0.48
▸ TP53 P04637 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PARP1 P09874 2/20 0.47
▸ HTR1D P28221 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ SIGMAR1 Q99720 2/20 0.46
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45

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
SCHEMBL8041738 0.82 MAPKAPK2 (0.54) SIRT1MAPKAPK2MAPTALDH1A1HTR2B
SCHEMBL5612096 0.82 PARP1 (0.41) SIRT1MAPKAPK2MAPTTP53SMN1; SMN2
SCHEMBL30363250 0.81 MAPKAPK2 (0.56) SIRT1MAPKAPK2MAPTALDH1A1HTR2B
SCHEMBL30363189 0.81 MAPKAPK2 (0.56) SIRT1MAPKAPK2MAPTALDH1A1HTR2B
SCHEMBL6237350 0.81 MAPKAPK2 (0.55) SIRT1MAPKAPK2MAPTALDH1A1HTR2B
SCHEMBL30363083 0.81 MAPKAPK2 (0.55) SIRT1MAPKAPK2MAPTALDH1A1HTR2B
SCHEMBL30363161 0.81 MAPKAPK2 (0.55) SIRT1MAPKAPK2MAPTALDH1A1HTR2B
SCHEMBL14363920 0.80 MAPKAPK2 (0.54) SIRT1MAPKAPK2MAPTALDH1A1HTR2B
SCHEMBL17500277 0.80 GRIN2B (0.59) SIRT1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL7501949 0.80 SIGMAR1 (0.55) SIRT1MAPKAPK2MAPTALDH1A1HTR2B

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 2 patents. 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 claimed
US-6048868-A CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS; ANTIDEPRESSANTS CEMAF (FR) 2000-04-11 — — US disclosed
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