SCHEMBL14363770

SCHEMBL14363770

COc1ccc2[nH]c3c(c2c1)CCN1C(C)OCC31

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ MAPKAPK2 P49137 6/20 0.53
▸ KCNH2 Q12809 3/20 0.48
▸ SIGMAR1 Q99720 2/20 0.48
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNB4 P30926 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ CHRNA3 P32297 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ TMEM97 Q5BJF2 1/20 0.48
▸ MAPKAPK5 Q8IW41 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ ADRA1A P35348 4/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 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
SCHEMBL14363777 0.86 MAPT (0.51) MAPTALDH1A1HTR2BMAPKAPK2KCNH2
SCHEMBL14363774 0.86 MAPKAPK2 (0.50) MAPTALDH1A1HTR2BMAPKAPK2KCNH2
SCHEMBL14363779 0.85 KIF11 (0.46) ALDH1A1SIRT1
SCHEMBL14363771 0.84 MAPKAPK2 (0.51) MAPTALDH1A1HTR2BMAPKAPK2KCNH2
SCHEMBL14364159 0.81 CHRNA7 (0.55) SLC6A4ADRA1ACYP1A2CYP2D6HSD17B10
SCHEMBL21648505 0.77 MAPKAPK2 (0.46) MAPTALDH1A1HTR2BMAPKAPK2KCNH2
SCHEMBL21648537 0.77 MAPKAPK2 (0.46) MAPTALDH1A1HTR2BMAPKAPK2KCNH2
SCHEMBL21648540 0.77 MAPKAPK2 (0.46) MAPTALDH1A1HTR2BMAPKAPK2KCNH2
SCHEMBL14363920 0.76 MAPKAPK2 (0.54) MAPTALDH1A1HTR2BMAPKAPK2KCNH2
SCHEMBL30363250 0.75 MAPKAPK2 (0.56) MAPTALDH1A1HTR2BMAPKAPK2KCNH2

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
WO-2007147819-A1 3H,11H-OXAZOLO[3',4':1,2]PYRIDO[3,4-B]INDOLE DERIVATIVES AND THERAPEUTIC USE THEREOF FOURTILLAN (FR) 2007-12-27 — — WO disclosed
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