SCHEMBL7299353

SCHEMBL7299353

COC(=O)[C@@H]1CCCN1C(=O)CC1CCc2cc(OC)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 9/20 0.54
CYP26A1 O43174 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ACHE P22303 2/20 0.47
CYP19A1 P11511 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
UGCG Q16739 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7298194 0.93 PREP (0.52) PREPCA1CA2ACHEMTNR1A
SCHEMBL7302011 0.91 PREP (0.55) PREPCYP26A1CA1CA2ACHE
SCHEMBL7303791 0.88 PREP (0.72) PREPCYP26A1
SCHEMBL7303286 0.88 PREP (0.72) PREPCYP26A1
SCHEMBL7294906 0.87 PREP (0.70) PREPUGCG
SCHEMBL7294917 0.87 PREP (0.70) PREPUGCG
SCHEMBL7296815 0.87 PREP (0.70) PREPUGCG
SCHEMBL7292882 0.87 PREP (0.70) PREPUGCG
SCHEMBL7298505 0.83 PREP (0.71) PREP
SCHEMBL7298496 0.83 PREP (0.71) PREP

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