SCHEMBL20113077

SCHEMBL20113077

O=C(O)[C@H]1c2ccccc2CC(=O)N1CCCF

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.43
ACE P12821 6/20 0.43
TOP1 P11387 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 2/20 0.33
HRH1 P35367 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2C P28335 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NCOR2 Q9Y618 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
SCHEMBL19960658 1.00 GRM7 (0.43) GRM7ACETOP1MEN1POLB
SCHEMBL19953523 1.00 GRM7 (0.43) GRM7ACETOP1MEN1POLB
SCHEMBL19960858 0.88 GRM7 (0.40) GRM7ACETOP1KMT2AHTR2A
SCHEMBL20166097 0.83 GRM7 (0.39) GRM7MEN1POLBKMT2AALDH1A1
SCHEMBL19953701 0.81 ACE (0.47) GRM7ACEMTNR1AMTNR1BHDAC4
SCHEMBL19960826 0.81 ACE (0.47) GRM7ACEMTNR1AMTNR1BHDAC4
SCHEMBL19960407 0.81 ACE (0.43) GRM7ACEPOLBKMT2AALDH1A1
SCHEMBL19953670 0.81 ACE (0.42) GRM7ACEALDH1A1
SCHEMBL25625959 0.80 GRM7 (0.37) GRM7TOP1HTR2AHRH1MTNR1A
SCHEMBL19953490 0.80 ACE (0.46) GRM7ACEMEN1POLBKMT2A

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-2018079862-A1 MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 WO disclosed