SCHEMBL9097367

SCHEMBL9097367

O=C(CCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)COc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.49
PREP P48147 1/20 0.49
F2 P00734 2/20 0.44
YAP1 P46937 1/20 0.43
LTA4H P09960 2/20 0.43
EPHX2 P34913 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9097372 1.00 ACE (0.49) ACEPREPF2YAP1LTA4H
SCHEMBL7305938 0.94 PREP (0.48) ACEPREPF2
SCHEMBL7305931 0.94 PREP (0.48) ACEPREPF2
SCHEMBL7297472 0.92 PREP (0.48) ACEPREPF2TSHR
SCHEMBL9097291 0.92 F2 (0.49) ACEPREPF2
SCHEMBL7297465 0.92 PREP (0.48) ACEPREPF2TSHR
SCHEMBL9097297 0.92 F2 (0.49) ACEPREPF2
SCHEMBL9097668 0.83 ACE (0.50) ACEPREPF2YAP1LTA4H
SCHEMBL9097660 0.83 ACE (0.50) ACEPREPF2YAP1LTA4H
SCHEMBL7305097 0.83 PREP (0.68) PREPTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506256-A PREVENTION AND/OR TREATMENT OF DEMENTIA, AMNESIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed