SCHEMBL14363774

SCHEMBL14363774

COc1ccc2[nH]c3c(c2c1)CCN1C3COC1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 5/20 0.50
▸ MAPT P10636 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ KCNH2 Q12809 3/20 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
▸ TMEM97 Q5BJF2 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ MAPKAPK5 Q8IW41 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44

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
SCHEMBL14363770 0.86 MAPT (0.54) MAPKAPK2MAPTALDH1A1HTR2BKCNH2
SCHEMBL14363777 0.83 MAPT (0.51) MAPKAPK2MAPTALDH1A1HTR2BKCNH2
SCHEMBL14364171 0.82 CHRNA7 (0.49) MAPTALDH1A1SLC6A4CYP1A2CYP2D6
SCHEMBL14363771 0.81 MAPKAPK2 (0.51) MAPKAPK2MAPTALDH1A1HTR2BKCNH2
SCHEMBL21648537 0.74 MAPKAPK2 (0.46) MAPKAPK2MAPTALDH1A1HTR2BKCNH2
SCHEMBL21648505 0.74 MAPKAPK2 (0.46) MAPKAPK2MAPTALDH1A1HTR2BKCNH2
SCHEMBL21648540 0.74 MAPKAPK2 (0.46) MAPKAPK2MAPTALDH1A1HTR2BKCNH2
SCHEMBL14363920 0.74 MAPKAPK2 (0.54) MAPKAPK2MAPTALDH1A1HTR2BKCNH2
SCHEMBL30363250 0.73 MAPKAPK2 (0.56) MAPKAPK2MAPTALDH1A1HTR2BKCNH2
SCHEMBL30363189 0.73 MAPKAPK2 (0.56) MAPKAPK2MAPTALDH1A1HTR2BKCNH2

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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