SCHEMBL7504696

SCHEMBL7504696

COc1ccc(CC2CCC(=O)N3CCc4c([nH]c5ccc(OC)cc45)C23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 5/20 0.49
▸ SIRT1 Q96EB6 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ TP53 P04637 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
▸ KCNH2 Q12809 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ CHRM4 P08173 2/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ HTR7 P34969 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPKAPK5 Q8IW41 1/20 0.44
▸ TRPA1 O75762 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
SCHEMBL7501949 0.89 SIGMAR1 (0.55) MAPKAPK2SIRT1MAPTTP53SIGMAR1
SCHEMBL7507230 0.83 TP53 (0.52) MAPKAPK2SIRT1MAPTTP53SIGMAR1
SCHEMBL8041821 0.79 MAPKAPK2 (0.50) MAPKAPK2SIRT1MAPTTP53SIGMAR1
SCHEMBL7506585 0.79 MAPKAPK2 (0.53) MAPKAPK2SIRT1MAPTTP53SIGMAR1
SCHEMBL7504077 0.78 MAPKAPK2 (0.49) MAPKAPK2SIRT1MAPTTP53SIGMAR1
SCHEMBL7503170 0.78 MAPKAPK2 (0.54) MAPKAPK2SIRT1MAPTTP53SIGMAR1
SCHEMBL6237350 0.78 MAPKAPK2 (0.55) MAPKAPK2SIRT1MAPTTP53SIGMAR1
SCHEMBL7510021 0.78 TP53 (0.56) MAPKAPK2SIRT1MAPTTP53SIGMAR1
SCHEMBL7506122 0.78 MAPKAPK2 (0.48) MAPKAPK2SIRT1MAPTTP53SIGMAR1
SCHEMBL8039623 0.77 SIRT1 (0.56) MAPKAPK2SIRT1MAPTTP53SIGMAR1

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
EP-1064284-B1 HYPNOTIC BETA-CARBOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINAL PRODUCTS MACEF (FR) 2002-03-27 — — EP claimed
EP-1064284-B1 HYPNOTIC BETA-CARBOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINAL PRODUCTS MACEF (FR) 2002-03-27 — — EP disclosed
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