SCHEMBL4005378

SCHEMBL4005378

CCC(CC)(C(N)=O)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 8/20 0.57
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
HTR7 P34969 1/20 0.42
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RIPK1 Q13546 2/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6002599 0.85 HTT (0.58) KCNN4KCNE1KCNQ1HTR7KDM4E
SCHEMBL1141842 0.81 OGG1 (0.42) HDAC3HDAC1HDAC2HTTMEN1
SCHEMBL8447097 0.81 MIF (0.44) HPGDKDM4EHDAC3HDAC1HDAC2
SCHEMBL2171612 0.81 KDM4E (0.44) KCNN4HTR7HPGDKDM4EHDAC3
SCHEMBL431187 0.80 HTT (0.59) KCNN4KDM4EHDAC1HTTMAPT
SCHEMBL8356496 0.79 KCNN4 (0.55) KCNN4KCNE1KCNQ1KDM4EHTT
SCHEMBL4002525 0.78 CA1 (0.49) HDAC3HDAC1HDAC2MEN1NPC1
SCHEMBL16183044 0.76 ESR1 (0.40) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11994187 0.74 KCNN4 (0.53) KCNN4KCNE1KCNQ1HTR7HPGD
SCHEMBL11533320 0.74 KCNN4 (0.45) KCNN4KCNE1KCNQ1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009079593-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO disclosed