SCHEMBL12720147

SCHEMBL12720147

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2R P25116 5/20 0.51
CNR1 P21554 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
EPHX2 P34913 6/20 0.36
MGLL Q99685 1/20 0.36
DPP4 P27487 2/20 0.35
DPP7 Q9UHL4 1/20 0.35
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
FASN P49327 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 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
SCHEMBL13808164 0.94 F2R (0.51) F2RCNR1TMEM97EPHX2DPP4
SCHEMBL12720198 0.90 F2R (0.40) F2RCNR1TMEM97KCNH2MCHR1
SCHEMBL12720043 0.89 F2R (0.53) F2RCNR1TMEM97EPHX2MGLL
SCHEMBL12720313 0.88 F2R (0.53) F2RCNR1TMEM97EPHX2
SCHEMBL12720135 0.87 F2R (0.52) F2RCNR1TMEM97EPHX2MGLL
SCHEMBL641289 0.85 F2R (0.59) F2RCNR1TMEM97EPHX2MGLL
SCHEMBL12720052 0.85 F2R (0.49) F2RCNR1TMEM97EPHX2MGLL
SCHEMBL12720577 0.84 F2R (0.51) F2RCNR1TMEM97EPHX2MGLL
SCHEMBL12720191 0.83 F2R (0.55) F2RCNR1TMEM97EPHX2KCNH2
SCHEMBL642302 0.82 F2R (0.62) F2RCNR1TMEM97EPHX2MGLL

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-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed