SCHEMBL5046246

SCHEMBL5046246

CC(C)(C)OC(=O)N1CCCCC1CCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.54
HCRTR1 O43613 4/20 0.50
HCRTR2 O43614 4/20 0.50
PRMT5 O14744 1/20 0.50
LTA4H P09960 10/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
KLK7 P49862 1/20 0.45

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
SCHEMBL4312971 1.00 CHEK2 (0.54) CHEK2HCRTR1HCRTR2PRMT5LTA4H
SCHEMBL7359533 0.92 PRMT5 (0.58) CHEK2HCRTR1HCRTR2PRMT5KDM4E
SCHEMBL6609250 0.92 CHEK2 (0.56) CHEK2HCRTR1HCRTR2PRMT5KDM4E
SCHEMBL4319616 0.89 ALOX5AP (0.50) PRMT5LTA4HKLK7
SCHEMBL4317022 0.89 ALOX5AP (0.50) PRMT5LTA4HKLK7
SCHEMBL4317028 0.89 ALOX5AP (0.50) PRMT5LTA4HKLK7
SCHEMBL7324862 0.88 CHEK2 (0.58) CHEK2HCRTR1HCRTR2PRMT5LTA4H
SCHEMBL7330394 0.88 LTA4H (0.56) HCRTR1HCRTR2LTA4HKDM4EMEN1
SCHEMBL7446645 0.87 CHEK2 (0.52) CHEK2HCRTR1HCRTR2PRMT5NPC1
SCHEMBL7399721 0.86 CHEK2 (0.61) CHEK2HCRTR1HCRTR2MEN1KMT2A

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
EP-1926708-B1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2014-06-18 EP disclosed
EP-1926708-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Chemistry, Inc. (US) 2008-06-04 EP disclosed
WO-2007040682-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2007-04-12 WO disclosed
EP-0674514-A1 USE OF ARYLOXYALKYL SUBSTITUTED CYCLIC AMINES AS CALCIUM CHANNEL ANTAGONISTS AND NEW PHENYLOXYALKYL PIPERIDIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994013291-A1 USE OF ARYLOXYALKYL SUBSTITUTED CYCLIC AMINES AS CALCIUM CHANNEL ANTAGONISTS AND NEW PHENYLOXYALKYL PIPERIDIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1994-06-23 WO disclosed