SCHEMBL8525582

SCHEMBL8525582

O=C(c1cc(CO)cc(C(F)(F)F)n1)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.45
SCN10A Q9Y5Y9 3/20 0.45
KCNH2 Q12809 9/20 0.44
SCN7A Q01118 8/20 0.44
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
CACNA1H O95180 1/20 0.38

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
SCHEMBL8576686 0.85 SCN9A (0.45) SCN9ASCN10AKCNH2SCN7ASCN5A
SCHEMBL8545011 0.85 JAK2 (0.43) SCN9ASCN10AKCNH2SCN7ASCN5A
SCHEMBL8531540 0.85 SCN9A (0.42) SCN9ASCN10AKCNH2SCN7ASCN5A
SCHEMBL8521244 0.79 SCN9A (0.49) SCN9ASCN10AKCNH2SCN7ASCN5A
SCHEMBL8543478 0.77 SCN9A (0.43) SCN9ASCN10AKCNH2SCN7ASCN5A
SCHEMBL8531218 0.72 SCN9A (0.46) SCN9ASCN10AKCNH2SCN7ASCN5A
SCHEMBL8575105 0.71 SCN9A (0.43) SCN9ASCN10AKCNH2SCN7ASCN5A
SCHEMBL8532594 0.71 SCN9A (0.44) SCN9ASCN10AKCNH2SCN7ASCN5A
SCHEMBL32686363 0.70 MAPT (0.40) LOXL2
SCHEMBL8541776 0.68 JAK2 (0.43) SCN9ASCN10AKCNH2SCN7ASCN5A

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
WO-2012068450-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2012-05-24 WO disclosed