SCHEMBL3705800

SCHEMBL3705800

Cc1ccc(C(=O)Nc2ccc(Oc3ccc4cc(C(=O)O)n(C)c4c3)nc2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.45
RAB9A P51151 1/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 1/20 0.43
GFER P55789 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
HTR2C P28335 4/20 0.41
THRB P10828 1/20 0.41
PPARG P37231 1/20 0.41
P4HTM Q9NXG6 1/20 0.39
P2RX3 P56373 1/20 0.39

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
SCHEMBL3062332 0.82 KCNQ3 (0.48) CHRNA7RAB9APKMMAPT
SCHEMBL3063119 0.82 GAA (0.58) RAB9APKMMAPT
SCHEMBL3066509 0.82 GAA (0.51) RAB9APKMMAPT
SCHEMBL3057626 0.82 KDM4E (0.43) CHRNA7PKMGFERPPARGP2RX3
SCHEMBL3059637 0.81 GAA (0.51) RAB9APKMMAPT
SCHEMBL3061602 0.81 RAB9A (0.50) CHRNA7RAB9APKMMAPT
SCHEMBL3054652 0.81 GAA (0.50) RAB9APKMMAPT
SCHEMBL3062716 0.77 SCN9A (0.51) RAB9A
SCHEMBL3062655 0.76 PPARG (0.45) CHRNA7RAB9AGFERHTR2CPPARG
SCHEMBL3061624 0.76 STAT3 (0.48) RAB9A

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-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 WO disclosed