SCHEMBL8039167

SCHEMBL8039167

N#Cc1ccc(F)c(CN2CC[C@@H](C(N)=O)C2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
GPR6 P46095 2/20 0.36
MGLL Q99685 1/20 0.35
DPP4 P27487 2/20 0.35
SIRT2 Q8IXJ6 2/20 0.35
SIRT1 Q96EB6 2/20 0.35
KDM1A O60341 1/20 0.35
HSD11B1 P28845 1/20 0.34
SCN3A Q9NY46 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
AOC3 Q16853 1/20 0.33
USP30 Q70CQ3 1/20 0.33
FPR2 P25090 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33

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
SCHEMBL8042725 0.87 SIRT2 (0.35) DPP4SIRT2SIRT1F2F10
SCHEMBL8029685 0.87 SIRT2 (0.35) DPP4SIRT2SIRT1F2F10
SCHEMBL8029146 0.87 SIRT2 (0.35) DPP4SIRT2SIRT1F2F10
SCHEMBL7417913 0.87 SIRT2 (0.35) DPP4SIRT2SIRT1F2F10
SCHEMBL8039170 0.83 HCRTR1 (0.41) HCRTR1HCRTR2GPR6DPP4KDM1A
Hydrochloric Acid SCHEMBL8029623 0.82 HCRTR1 (0.41) HCRTR1HCRTR2GPR6DPP4KDM1A
Hydrochloric Acid SCHEMBL7420338 0.82 HCRTR1 (0.41) HCRTR1HCRTR2GPR6DPP4KDM1A
SCHEMBL7424934 0.81 FNTA (0.44) DPP4
SCHEMBL8833260 0.79 SIRT2 (0.55) MGLLDPP4SIRT2SIRT1HSD11B1
SCHEMBL7419118 0.79 SIRT2 (0.55) MGLLDPP4SIRT2SIRT1HSD11B1

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-6034093-A Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-03-07 US disclosed