SCHEMBL7100147

SCHEMBL7100147

Cc1ccccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1c[c]ccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
AR P10275 1/20 0.32
GPBAR1 Q8TDU6 2/20 0.32
PDE2A O00408 4/20 0.31
PDE10A Q9Y233 4/20 0.31
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.30
TRPA1 O75762 1/20 0.30
SCN9A Q15858 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 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
SCHEMBL6017895 0.83 DHFR (0.39)
SCHEMBL28749688 0.82 AOC3 (0.39)
SCHEMBL7097335 0.82 NR1H2 (0.37) PDE10A
SCHEMBL7102507 0.80
SCHEMBL7102225 0.80
SCHEMBL6425555 0.80
SCHEMBL6051253 0.79
SCHEMBL7104434 0.79 DHFR (0.39)
SCHEMBL7104436 0.79 AR (0.35) AR
SCHEMBL7101205 0.78 TDP1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed