SCHEMBL12720191

SCHEMBL12720191

CCc1coc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCC(O)CC3)C2)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 9/20 0.55
CNR1 P21554 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
POLB P06746 1/20 0.37
EPHX2 P34913 7/20 0.37
KDM2B Q8NHM5 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL12720135 0.96 F2R (0.52) F2RCNR1TMEM97POLBEPHX2
SCHEMBL12720052 0.88 F2R (0.49) F2RCNR1TMEM97POLBEPHX2
SCHEMBL641144 0.85 F2R (0.62) F2RCNR1TMEM97POLBEPHX2
SCHEMBL12720043 0.85 F2R (0.53) F2RCNR1TMEM97POLBEPHX2
SCHEMBL12720040 0.84 F2R (0.54) F2RCNR1TMEM97EPHX2KDM2B
SCHEMBL12720147 0.83 F2R (0.51) F2RCNR1TMEM97EPHX2ABL1
SCHEMBL13808304 0.83 F2R (0.53) F2RCNR1TMEM97EPHX2
SCHEMBL12720114 0.83 F2R (0.51) F2RCNR1TMEM97EPHX2ABL1
SCHEMBL643326 0.82 F2R (0.65) F2RCNR1TMEM97EPHX2ABL1
SCHEMBL13808409 0.82 F2R (0.51) F2RCNR1TMEM97ABL1BCR

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