SCHEMBL5492945

SCHEMBL5492945

NC1(C(=O)O)CCCCCCCN1C1CCCCCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.34
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
BDKRB2 P30411 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DPP4 P27487 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
GRM2 Q14416 2/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OGFRL1 Q5TC84 1/20 0.30
HTT P42858 1/20 0.30
FAP Q12884 1/20 0.30
PITRM1 Q5JRX3 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2358352 0.80 ALDH1A1 (0.36) ALOX15
SCHEMBL7433205 0.72 HSD11B1 (0.34) HSD11B1ARG1ARG2BDKRB2KCNH2
SCHEMBL20390137 0.71 BDKRB2 (0.33) HSD11B1BDKRB2
SCHEMBL3801761 0.69 CYP2C19 (0.33) CYP2C19
SCHEMBL30101056 0.68
SCHEMBL17609571 0.66 HSD11B1 (0.33) HSD11B1DPP4DPP7
SCHEMBL19575931 0.66 ARG1 (0.55) ARG1ARG2HRH3GRM2GRM4
SCHEMBL28611997 0.65 GRM2 (0.31) GRM2GRM3
SCHEMBL1062175 0.65 GRM2 (0.31) GRM2GRM3
SCHEMBL10721925 0.64 SIGMAR1 (0.33) HSD11B1BDKRB2

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
US-20070010428-A1 Inhibitors of signal transduction and activator of transcription 3 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2007-01-11 US disclosed