SCHEMBL27609019

SCHEMBL27609019

O=CC1Sc2ccccc2N1CCCCCl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ HDAC3 O15379 2/20 0.31
▸ HDAC4 P56524 2/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC7 Q8WUI4 2/20 0.31
▸ HDAC2 Q92769 2/20 0.31
▸ HDAC10 Q969S8 2/20 0.31
▸ HDAC11 Q96DB2 2/20 0.31
▸ HDAC8 Q9BY41 2/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ HDAC9 Q9UKV0 2/20 0.31
▸ HDAC5 Q9UQL6 2/20 0.31
▸ PPARG P37231 1/20 0.31

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
SCHEMBL30767231 0.71 MEN1 (0.43) GSK3BHDAC3HDAC4HDAC1HDAC7
SCHEMBL1025579 0.71 BCHE (0.35) GSK3B
SCHEMBL6867284 0.66 PIM1 (0.69) PIM1
SCHEMBL29142651 0.66 CES1 (0.42) GSK3BPPARG
SCHEMBL21803246 0.65 KDM1A (0.39) GSK3B
SCHEMBL29221349 0.64 MAOA (0.34) PIM1GSK3B
SCHEMBL29221320 0.64 GSK3B (0.45) GSK3BPPARG
SCHEMBL6233173 0.64 GSK3B (0.41) GSK3B
SCHEMBL10602240 0.64 GSK3B (0.41) GSK3B
SCHEMBL11547662 0.63 GSK3B (0.40) GSK3B

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
CN-1561212-A Benzimidazolone Derivatives as Muscarinic Agents ACADIA PHARM INC (US) 2005-01-05 — — CN disclosed
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