SCHEMBL2730686

SCHEMBL2730686

CC(N)COC(=O)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
GAA P10253 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
CHKA P35790 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 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
SCHEMBL112264 0.86 RAB9A (0.44) CA2CA12CA1CA9CHRM5
SCHEMBL28622902 0.84 MEN1 (0.40) GAATSHRALDH1A1KDM4ENOS3
SCHEMBL30066494 0.83 GAA (0.38) CA2CA12CA1CA9GAA
SCHEMBL28722507 0.81 TSHR (0.39) CA2CA12CA1CA9GAA
SCHEMBL28938071 0.81 TSHR (0.39) CA2CA12CA1CA9GAA
SCHEMBL1873610 0.80 RAB9A (0.43) CA2CA12CA1CA9CHRM5
SCHEMBL26824211 0.79 CA2 (0.37) CA2CA12CA1CA9GAA
N-(Ethoxycarbonyl)Piperazine SCHEMBL113765 0.77 TSHR (0.57) CA2CA12CA1CA9GAA
N-(Ethoxycarbonyl)Piperazine SCHEMBL3889276 0.77 TSHR (0.57) CA2CA12CA1CA9GAA
SCHEMBL1679019 0.77 TSHR (0.57) CA2CA12CA1CA9GAA

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-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