SCHEMBL7302011

SCHEMBL7302011

COc1ccc2c(c1)CCC(CC(=O)N1CCC[C@H]1C(=O)O)C2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 10/20 0.55
OPRM1 P35372 1/20 0.50
CYP26A1 O43174 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
CYP19A1 P11511 1/20 0.46
HTR1A P08908 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PSMD14 O00487 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
SCHEMBL7299353 0.91 PREP (0.54) PREPCYP26A1SIGMAR1CYP19A1CA1
SCHEMBL7303286 0.89 PREP (0.72) PREPCYP26A1
SCHEMBL7303791 0.89 PREP (0.72) PREPCYP26A1
SCHEMBL7433434 0.86 PREP (0.75) PREP
SCHEMBL7296561 0.86 PREP (0.75) PREP
SCHEMBL7303183 0.83 PREP (0.76) PREP
SCHEMBL7302046 0.83 PREP (0.76) PREP
SCHEMBL7297091 0.83 PREP (0.76) PREP
SCHEMBL7297100 0.83 PREP (0.76) PREP
SCHEMBL7298194 0.83 PREP (0.52) PREPOPRM1CA1CA2ACHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017929-A Cholinesterase activator ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0754454-A1 CHOLINESTERASE ACTIVATOR ZERIA PHARMACEUTICAL CO., LTD. (JP) 1997-01-22 EP disclosed
EP-0372484-B1 Condensed benzene derivative ZERIA PHARM CO LTD (JP) 1994-10-26 EP disclosed
US-5028604-A Cognition Activators ZERIA PHARMACEUTICAL CO., LTD. (JP) 1991-07-02 US disclosed
EP-0372484-A2 Condensed benzene derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 1990-06-13 EP disclosed