SCHEMBL7302927

SCHEMBL7302927

COC(=O)[C@@H]1CCCN1C(=O)CC1Cc2ccccc2C1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PREP P48147 14/20 0.68
KLK5 Q9Y337 1/20 0.48
ACE P12821 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ALOX5 P09917 1/20 0.47

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
SCHEMBL7294184 0.95 PREP (0.69) PREPKLK5ACE
SCHEMBL7294906 0.94 PREP (0.70) PREPKLK5ACE
SCHEMBL7292882 0.94 PREP (0.70) PREPKLK5ACE
SCHEMBL7294917 0.94 PREP (0.70) PREPKLK5ACE
SCHEMBL7296815 0.94 PREP (0.70) PREPKLK5ACE
SCHEMBL7301169 0.93 PREP (0.70) PREP
SCHEMBL7298505 0.90 PREP (0.71) PREP
SCHEMBL7298496 0.90 PREP (0.71) PREP
SCHEMBL7303041 0.86 ALDH1A1 (0.58) PREPKLK5ALDH1A1
SCHEMBL7298194 0.86 PREP (0.52) PREPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121311-A Method for treating cocainism JAPAN TOBACCO INC. (JP) 2000-09-19 US disclosed
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