SCHEMBL7302938

SCHEMBL7302938

COC(=O)[C@@H]1CCCN1C(=O)CC1CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 9/20 0.48
ACE P12821 1/20 0.48
ALDH1A1 P00352 2/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2 P00734 1/20 0.44
ALOX5 P09917 1/20 0.43
KLK5 Q9Y337 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 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
SCHEMBL7294194 0.96 PREP (0.50) PREPACEALDH1A1PRMT5WDR77
SCHEMBL7294191 0.96 PREP (0.50) PREPACEALDH1A1PRMT5WDR77
SCHEMBL7305429 0.86 CHRM2 (0.57) PREPACEALDH1A1F2CHRM2
SCHEMBL7294906 0.83 PREP (0.70) PREPACEKLK5
SCHEMBL7296815 0.83 PREP (0.70) PREPACEKLK5
SCHEMBL7292882 0.83 PREP (0.70) PREPACEKLK5
SCHEMBL7301748 0.83 PREP (0.70) PREP
SCHEMBL7294917 0.83 PREP (0.70) PREPACEKLK5
SCHEMBL7301742 0.83 PREP (0.70) PREP
SCHEMBL7303285 0.82 PREP (0.54) PREPACEALDH1A1F2CHRM2

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