SCHEMBL12720135

SCHEMBL12720135

CCc1coc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCC(O)C3)C2)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 7/20 0.52
CNR1 P21554 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
POLB P06746 1/20 0.37
EPHX2 P34913 7/20 0.37
MGLL Q99685 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL12720191 0.96 F2R (0.55) F2RCNR1TMEM97POLBEPHX2
SCHEMBL12720052 0.92 F2R (0.49) F2RCNR1TMEM97POLBEPHX2
SCHEMBL12720043 0.90 F2R (0.53) F2RCNR1TMEM97POLBEPHX2
SCHEMBL12720147 0.87 F2R (0.51) F2RCNR1TMEM97EPHX2MGLL
SCHEMBL640630 0.86 F2R (0.59) F2RCNR1TMEM97POLBEPHX2
SCHEMBL12720577 0.85 F2R (0.51) F2RCNR1TMEM97EPHX2MGLL
SCHEMBL642302 0.83 F2R (0.62) F2RCNR1TMEM97EPHX2MGLL
SCHEMBL12720040 0.81 F2R (0.54) F2RCNR1TMEM97EPHX2KDM2B
SCHEMBL641144 0.81 F2R (0.62) F2RCNR1TMEM97POLBEPHX2
SCHEMBL643755 0.81 F2R (0.77) F2RCNR1TMEM97MGLLHRH3

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
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed