SCHEMBL12720366

SCHEMBL12720366

CS(=O)(=O)Cc1coc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCC(C#N)CC3)C2)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.53
CNR1 P21554 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
RORC P51449 3/20 0.36
LIPE Q05469 1/20 0.35
KCNH2 Q12809 1/20 0.34
ENPP2 Q13822 1/20 0.34
PROKR1 Q8TCW9 2/20 0.33
SCN9A Q15858 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
SCHEMBL12720314 0.91 F2R (0.51) F2RCNR1TMEM97RORCLIPE
SCHEMBL13808094 0.87 F2R (0.52) F2RCNR1TMEM97LIPEKCNH2
SCHEMBL13808366 0.86 F2R (0.58) F2RCNR1TMEM97RORCLIPE
SCHEMBL642853 0.86 F2R (0.53) F2RCNR1TMEM97RORCLIPE
SCHEMBL12719978 0.84 F2R (0.51) F2RCNR1TMEM97RORCLIPE
SCHEMBL13808374 0.84 F2R (0.56) F2RCNR1TMEM97RORCLIPE
SCHEMBL641459 0.79 F2R (0.58) F2RCNR1TMEM97LIPEKCNH2
SCHEMBL12720372 0.79 F2R (0.55) F2RCNR1TMEM97RORC
SCHEMBL12720040 0.79 F2R (0.54) F2RCNR1TMEM97SCN9A
SCHEMBL12720163 0.79 F2R (0.52) F2RCNR1TMEM97RORCSCN9A

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