SCHEMBL20145133

SCHEMBL20145133

FC(F)(F)c1cnc(OC2CCCNC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHEK1 O14757 3/20 0.42
ROCK1 Q13464 3/20 0.40
ROCK2 O75116 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
TIPARP Q7Z3E1 1/20 0.38
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL18607845 0.84 PDGFRB (0.41) ALOX5APFEN1
SCHEMBL31239631 0.74 HCRTR1 (0.33) ALOX5APFEN1
SCHEMBL25145541 0.74 HCRTR1 (0.33) ALOX5APFEN1
SCHEMBL31239665 0.73 HCRTR1 (0.34) KCNH2
SCHEMBL25936181 0.73 HCRTR1 (0.34) KCNH2
SCHEMBL20144981 0.73 IL1B (0.46)
SCHEMBL20145101 0.73 IL1B (0.46)
SCHEMBL22686947 0.73 CHEK1 (0.45) CHRNB2CHRNA4CHEK1ROCK1ROCK2
SCHEMBL18072443 0.73 CHEK1 (0.45) CHRNB2CHRNA4CHEK1ROCK1ROCK2
SCHEMBL18072335 0.73 CHEK1 (0.45) CHRNB2CHRNA4CHEK1ROCK1ROCK2

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-2970207-B1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-16 EP disclosed