SCHEMBL29952529

SCHEMBL29952529

O=Cc1cc(F)c2c(c1)NC(=O)CO2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 11/20 0.44
PGR P06401 5/20 0.44
NR3C1 P04150 4/20 0.44
HTR1A P08908 3/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
MMP12 P39900 1/20 0.36
ADRB2 P07550 3/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
SLC6A4 P31645 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
SCHEMBL3276712 1.00 NR3C2 (0.44) NR3C2PGRNR3C1HTR1ADRD2
SCHEMBL5258793 0.86 NR3C2 (0.43) NR3C2PGRNR3C1HTR1ADRD2
SCHEMBL5340556 0.83 IL4I1 (0.43) NR3C2PGRNR3C1PDE3BPDE3A
SCHEMBL4267822 0.81 NR3C2 (0.47) NR3C2PGRNR3C1HTR1ADRD2
SCHEMBL13932130 0.81 NR3C2 (0.47) NR3C2PGRNR3C1HTR1ADRD2
SCHEMBL5345549 0.81 NR3C2 (0.43) NR3C2PGRNR3C1PDE3BPDE3A
SCHEMBL13950803 0.80 NR3C2 (0.39) NR3C2PGRNR3C1HTR1ADRD2
SCHEMBL705085 0.80 NR3C2 (0.50) NR3C2PGRNR3C1HTR1ADRD2
SCHEMBL532299 0.78 ALDH1A1 (0.39) PDE3BPDE3AMMP12ADRB2
SCHEMBL21372202 0.78 NR3C2 (0.48) NR3C2PGRNR3C1HTR1ADRD2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed