SCHEMBL13639804

SCHEMBL13639804

NN1N=C(c2cc(F)c(OC3CCN(C4CCC4)CC3)c(F)c2)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.43
KCNH2 Q12809 5/20 0.39
ADRA1A P35348 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
SCHEMBL1375841 0.80 HRH3 (0.68) HRH3KCNH2
SCHEMBL12148525 0.73 HRH3 (0.53) HRH3KCNH2ADRA1A
SCHEMBL1373911 0.71 HRH3 (0.69) HRH3KCNH2
SCHEMBL1372726 0.69 HRH3 (0.65) HRH3KCNH2
SCHEMBL1372844 0.68 HRH3 (0.64) HRH3KCNH2
SCHEMBL1375901 0.67 HRH3 (0.70) HRH3KCNH2
SCHEMBL1375384 0.66 HRH3 (0.58) HRH3KCNH2
SCHEMBL1373356 0.66 HRH3 (0.59) HRH3KCNH2
SCHEMBL8225123 0.65 MEN1 (0.49) HRH3KCNH2
SCHEMBL15784148 0.65 ATR (0.42) HRH3KCNH2ADRA1A

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-2069312-B1 PYRIDIZINONE DERIVATIVES CEPHALON INC (US) 2012-11-07 EP disclosed