SCHEMBL7366313

SCHEMBL7366313

O=C[C@@H]1CSNC1C(=O)CCC(=O)CCc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.40
CYP1A2 P05177 2/20 0.39
HCAR2 Q8TDS4 2/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
FFAR1 O14842 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
NAAA Q02083 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC13A5 Q86YT5 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL7320632 0.83 TPSAB1 (0.39) HCAR2HDAC1HDAC8FFAR1
SCHEMBL7375083 0.82 TDP1 (0.39) FFAR1
SCHEMBL7318502 0.82 SLC6A2 (0.39)
SCHEMBL7372051 0.80 HDAC1 (0.39) HDAC1HDAC8
SCHEMBL7366401 0.75 HDAC1 (0.43) HDAC1HDAC8
SCHEMBL7370142 0.73 NR4A2 (0.41) CYP1A2HDAC1HDAC8FFAR1CYP3A4
SCHEMBL7332873 0.73 CYP1A2 (0.66) PDPK1CYP1A2HCAR2HDAC1HDAC8
SCHEMBL7374066 0.73 S1PR3 (0.40) CYP1A2NAAACYP3A4HIF1A
SCHEMBL7323963 0.71 GAA (0.46) CYP3A4CYP2C19
SCHEMBL7366315 0.71 PDPK1 (0.40) PDPK1CYP1A2HCAR2HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0461677-B1 Novel thiazolidine derivatives ONO PHARMACEUTICAL CO (JP) 1997-04-16 EP claimed
EP-0461677-A1 Novel thiazolidine derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1991-12-18 EP claimed
US-4857537-A PREVENTING AMNESIA ONO PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US claimed
EP-0280956-A1 Thiazolidine derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP claimed
EP-0541407-B1 Nitrogen containing bicyclic derivatives, method for their preparation and pharmaceutical compositions containing them ADIR (FR) 1997-02-26 EP disclosed
US-5384322-A Prolylendopeptidase inhibitors; Alzheimer*s disease; antidepressant and anxiolytic agents ADIR ET COMPAGNIE (FR) 1995-01-24 US disclosed
US-5286732-A Prolylendopeptidase-inhibitors; administering for treatment and prevention of memory disorders for aging ADIR ET COMPAGNIE (FR) 1994-02-15 US disclosed
EP-0541407-A1 Nitrogen containing bicyclic derivatives, method for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-05-12 EP disclosed