SCHEMBL13808129

SCHEMBL13808129

CCc1coc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CC(OC)C3)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.41
CNR1 P21554 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SCN9A Q15858 2/20 0.35
SLC6A9 P48067 2/20 0.34
KCNH2 Q12809 2/20 0.34
PROKR1 Q8TCW9 2/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 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
SCHEMBL12720372 0.87 F2R (0.55) F2RCNR1TMEM97
SCHEMBL644237 0.84 F2R (0.45) F2RCNR1TMEM97SCN9ASLC6A9
SCHEMBL12720165 0.83 F2R (0.42) F2RCNR1TMEM97PROKR1
SCHEMBL12720452 0.83 F2R (0.43) F2RCNR1TMEM97
SCHEMBL12720463 0.83 F2R (0.57) F2RCNR1TMEM97SCN9AKCNH2
SCHEMBL10234444 0.81 F2R (0.47) F2RCNR1TMEM97SCN9AKCNH2
SCHEMBL12720304 0.79 F2R (0.39) F2RCNR1TMEM97SLC6A9KCNH2
SCHEMBL10234983 0.79 F2R (0.45) F2RCNR1TMEM97SLC6A9KCNH2
SCHEMBL2960516 0.79 F2R (0.45) F2RCNR1TMEM97SCN9ASLC6A9
SCHEMBL641923 0.78 GRM5 (0.49) F2RCNR1TMEM97PROKR1

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
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed