SCHEMBL7359533

SCHEMBL7359533

CC(C)(C)OC(=O)N1CCCCC1CCOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.58
CHEK2 O96017 1/20 0.54
HTT P42858 2/20 0.52
KDM4E B2RXH2 6/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.50
HCRTR1 O43613 3/20 0.50
HCRTR2 O43614 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KLK7 P49862 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA5 P30532 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
LMNA P02545 1/20 0.49
NPY1R P25929 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL5046246 0.92 CHEK2 (0.54) PRMT5CHEK2KDM4ENPC1RAB9A
SCHEMBL4312971 0.92 CHEK2 (0.54) PRMT5CHEK2KDM4ENPC1RAB9A
SCHEMBL6609250 0.92 CHEK2 (0.56) PRMT5CHEK2KDM4ENPC1RAB9A
SCHEMBL4314170 0.89 PRMT5 (0.56) PRMT5KDM4EALDH1A1KLK7CHRNB2
SCHEMBL4314700 0.89 PRMT5 (0.56) PRMT5KDM4EALDH1A1KLK7CHRNB2
SCHEMBL2895175 0.89 PRMT5 (0.56) PRMT5KDM4EALDH1A1KLK7CHRNB2
SCHEMBL30428901 0.88 PRMT5 (0.50) PRMT5CHEK2HTTHCRTR1HCRTR2
SCHEMBL7324862 0.88 CHEK2 (0.58) PRMT5CHEK2KDM4ENPC1RAB9A
SCHEMBL6610956 0.87 KLK7 (0.50) PRMT5CHEK2NPC1RAB9AL3MBTL1
SCHEMBL7399721 0.86 CHEK2 (0.61) CHEK2NPC1RAB9AHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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