SCHEMBL688432

SCHEMBL688432

CC(C)(C)OC(=O)ON1CCC(CB2C3CCCC2CCC3)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL689953 0.96 GPR119 (0.32) GPR119
SCHEMBL688431 0.81 HPGD (0.50) HPGDGPR119KDM4EPKM
SCHEMBL1133757 0.78 NR1H2 (0.43) HPGDGPR119KDM4EPKM
SCHEMBL689952 0.77 HPGD (0.50) HPGDGPR119KDM4EPKM
SCHEMBL5258386 0.77 NCF1 (0.40) HPGDGPR119KDM4EPKM
SCHEMBL6974684 0.77 NR1H2 (0.36) HPGDGPR119KDM4EPKM
SCHEMBL1060376 0.76 HPGD (0.45) HPGDGPR119KDM4EPKM
SCHEMBL3645886 0.74 KDM4E (0.32) HPGDGPR119KDM4EPKM
SCHEMBL212033 0.73 CHRM2 (0.42) HPGDGPR119KDM4E
SCHEMBL25405313 0.72 MEN1 (0.49) HPGD

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-2331506-B1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2013-07-03 EP disclosed
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP disclosed
EP-2331506-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2011-06-15 EP disclosed
WO-2010026095-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed