SCHEMBL11366753

SCHEMBL11366753

COc1ccc2[nH]c3c(c2c1)CCN1CN(C)C(=O)CC31

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 7/20 0.55
▸ 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
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ MAPKAPK5 Q8IW41 2/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ ADRA1A P35348 3/20 0.46
▸ ADRA1D P25100 2/20 0.46
▸ USP2 O75604 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 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
SCHEMBL11352715 0.81 MAPKAPK2 (0.55) MAPKAPK2KCNH2SIGMAR1CHRNB2CHRNB4
SCHEMBL30363189 0.80 MAPKAPK2 (0.56) MAPKAPK2KCNH2SIGMAR1CHRNB2CHRNB4
SCHEMBL30363250 0.80 MAPKAPK2 (0.56) MAPKAPK2KCNH2SIGMAR1CHRNB2CHRNB4
SCHEMBL30363161 0.79 MAPKAPK2 (0.55) MAPKAPK2KCNH2SIGMAR1CHRNB2CHRNB4
SCHEMBL30363083 0.79 MAPKAPK2 (0.55) MAPKAPK2KCNH2SIGMAR1CHRNB2CHRNB4
SCHEMBL8039623 0.78 SIRT1 (0.56) MAPKAPK2KCNH2SIGMAR1CHRNB2CHRNB4
SCHEMBL8041738 0.76 MAPKAPK2 (0.54) MAPKAPK2KCNH2SIGMAR1CHRNB2CHRNB4
SCHEMBL6237350 0.75 MAPKAPK2 (0.55) MAPKAPK2KCNH2SIGMAR1CHRNB2CHRNB4
SCHEMBL6238434 0.74 MAPT (0.55) MAPKAPK2KCNH2SIGMAR1CHRNB2CHRNB4
SCHEMBL6358856 0.74 MAPKAPK2 (0.54) MAPKAPK2KCNH2SIGMAR1CHRNB2CHRNB4

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-4277476-A ANTI-ANOXIA AND PSYCHOTROPIC AGENTS SYNTHELABO (FR) 1981-07-07 — — US disclosed
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