SCHEMBL12720198

SCHEMBL12720198

CC(C)c1coc(C2CC(c3ccc(OC(F)F)cc3)CN(C(=O)N3CCC(O)C3)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 4/20 0.40
CNR1 P21554 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
HRH3 Q9Y5N1 2/20 0.33
KCNK3 O14649 1/20 0.33
HSD11B1 P28845 1/20 0.33
KCNH2 Q12809 2/20 0.32
MCHR1 Q99705 1/20 0.32
TRPC6 Q9Y210 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12720147 0.90 F2R (0.51) F2RCNR1TMEM97HRH3HSD11B1
SCHEMBL13808164 0.83 F2R (0.51) F2RCNR1TMEM97HRH3TRPA1
SCHEMBL11997352 0.81 F2R (0.49) F2RCNR1TMEM97HSD11B1KCNH2
SCHEMBL10278640 0.79 F2R (0.45) F2RCNR1TMEM97TRPA1ALDH1A1
SCHEMBL11997340 0.79 F2R (0.50) F2RCNR1TMEM97HSD11B1TRPA1
SCHEMBL12720043 0.78 F2R (0.53) F2RCNR1TMEM97HRH3KCNH2
SCHEMBL12720313 0.78 F2R (0.53) F2RCNR1TMEM97
SCHEMBL10278573 0.77 F2R (0.63) F2RCNR1TMEM97HSD11B1TRPA1
SCHEMBL12720135 0.77 F2R (0.52) F2RCNR1TMEM97HRH3TRPA1
SCHEMBL10278942 0.77 F2R (0.43) F2RTRPC6ALDH1A1MEN1KMT2A

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