SCHEMBL40141

SCHEMBL40141

CN1CCN(C(=O)N(CCOCCOCCOCCC(=O)OC(C)(C)C)CCN(C)C(=O)c2cccc(C(N)=O)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.35
ACACB O00763 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DRD4 P21917 1/20 0.31
CSNK1E P49674 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
SCHEMBL40142 0.86 DRD4 (0.40) PARP14ACACBL3MBTL1DRD4
SCHEMBL40283 0.84 ACACB (0.39) PARP14ACACBL3MBTL1TLR2TLR1
SCHEMBL39961 0.72 PARP14 (0.50) PARP14L3MBTL1KDM4EDRD4
SCHEMBL45704 0.71 MEN1 (0.45) KDM4E
SCHEMBL16923869 0.66 SMN1; SMN2 (0.44) KDM4EALDH1A1
SCHEMBL16923863 0.65 LOXL2 (0.43) KDM4EALDH1A1
SCHEMBL25830482 0.65 TACR1 (0.38) L3MBTL1KDM4E
SCHEMBL19595748 0.63 HRH3 (0.34)
SCHEMBL3646900 0.62 MEN1 (0.51) ACACB
SCHEMBL3226822 0.62 HPGD (0.59) L3MBTL1KDM4EALDH1A1HSD17B10

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-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed