SCHEMBL12720197

SCHEMBL12720197

CC(C)C1=NCC(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCC(C#N)CC3)C2)=N1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 7/20 0.59
CNR1 P21554 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
EPHX2 P34913 8/20 0.36
PREP P48147 1/20 0.35
FAAH O00519 1/20 0.34
EPHX1 P07099 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LIPE Q05469 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 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
SCHEMBL12719989 0.87 F2R (0.47) F2RCNR1TMEM97EPHX2
SCHEMBL12720467 0.87 F2R (0.59) F2RCNR1TMEM97EPHX2PREP
SCHEMBL12719997 0.85 F2R (0.46) F2RCNR1TMEM97EPHX2EPHX1
SCHEMBL12720296 0.84 F2R (0.42) F2RHRH3LIPE
SCHEMBL642165 0.80 F2R (0.60) F2RCNR1TMEM97EPHX2FAAH
SCHEMBL12720025 0.79 F2R (0.49) F2RCNR1TMEM97EPHX2FAAH
SCHEMBL641260 0.78 F2R (0.67) F2RCNR1TMEM97EPHX2PREP
SCHEMBL641261 0.78 F2R (0.69) F2RCNR1TMEM97EPHX2PREP
SCHEMBL640933 0.77 F2R (0.65) F2RCNR1TMEM97EPHX2PREP
SCHEMBL12720334 0.77 F2R (0.50) F2RCNR1TMEM97EPHX2HRH3

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