SCHEMBL17028087

SCHEMBL17028087

C=CCC1CCCC1(CC=C)NN

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL28108713 0.75 GAA (0.36) GAAHPGDMAPK1
SCHEMBL2163195 0.73 GAA (0.37) GAAHPGDMAPK1
SCHEMBL8524485 0.72 GAA (0.39) GAAHPGDMAPK1
SCHEMBL1908027 0.70 GAA (0.44) GAAHPGDMAPK1
SCHEMBL9663054 0.70 GAA (0.36) GAAHPGDMAPK1
SCHEMBL30751 0.68 GAA (0.43) GAAHPGDMAPK1
SCHEMBL486158 0.67 GAA (0.45) GAAHPGDMAPK1
Hydrochloric Acid SCHEMBL2957423 0.67 GAA (0.42) GAAHPGDMAPK1
SCHEMBL17028086 0.66
SCHEMBL28710587 0.64 GAA (0.46) GAAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 EP disclosed
EP-3107898-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-12-28 EP disclosed
US-9493432-B2 Cyclopentylbenzamide derivatives and their use for the treatment of psychotic and cognitive disorders TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2016-11-15 US disclosed
WO-2015124932-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2015-08-27 WO disclosed