SCHEMBL7296333

SCHEMBL7296333

CCOC(=O)[C@H]1NCC(=S)C1C(=O)CC1CCc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
PREP P48147 7/20 0.36
GAA P10253 1/20 0.35
NR1D1 P20393 2/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
UGCG Q16739 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPY1R P25929 1/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL7302057 1.00 ADRA1D (0.39) ADRA1DADRA1AADRA1BPREPGAA
SCHEMBL7305086 1.00 ADRA1D (0.39) ADRA1DADRA1AADRA1BPREPGAA
SCHEMBL7302832 0.93 GAA (0.38) GAANR1D1KDM4ECYP1A2CYP2D6
SCHEMBL7296622 0.89 GAA (0.36) GAANR1D1KDM4ECYP1A2CYP2D6
SCHEMBL7297223 0.88 ITGB3 (0.34)
SCHEMBL7294598 0.88 CYP26A1 (0.44) ADRA1DADRA1AADRA1BMTNR1AMTNR1B
SCHEMBL7294861 0.85 PREP (0.39) ADRA1DADRA1AADRA1BPREPNPY1R
SCHEMBL7301552 0.85 PREP (0.39) ADRA1DADRA1AADRA1BPREPNPY1R
SCHEMBL7295266 0.85 PREP (0.39) ADRA1DADRA1AADRA1BPREPNPY1R
SCHEMBL7295365 0.83 GHSR (0.38) GAANR1D1MTNR1AMTNR1BKDM4E

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