SCHEMBL12778667

SCHEMBL12778667

Cc1ncc(OC(F)(F)F)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ FDPS P14324 1/20 0.35
▸ BAZ2B Q9UIF8 1/20 0.34
▸ SCN10A Q9Y5Y9 7/20 0.34
▸ KCNH2 Q12809 4/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN8A Q9UQD0 1/20 0.34
▸ CYP2A6 P11509 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL7520950 0.73 — —
SCHEMBL4899542 0.67 HRH1 (0.39) HRH1HRH4FDPSBAZ2BCYP2A6
SCHEMBL12778269 0.67 SCN10A (0.35) SCN10AKCNH2SCN1ASCN5ASCN9A
SCHEMBL11339878 0.65 HRH4 (0.38) HRH1HRH4FDPSBAZ2BCYP2A6
Ammonia Solution, Strong SCHEMBL29243752 0.65 HRH1 (0.38) HRH1HRH4FDPSBAZ2BCYP2A6
SCHEMBL12778728 0.65 HMBS (0.43) SCN10A
SCHEMBL5665905 0.64 FDPS (0.47) HRH1HRH4FDPSBAZ2B
SCHEMBL25808354 0.64 HRH1 (0.36) HRH1HRH4FDPSBAZ2BCYP2A6
SCHEMBL24427240 0.64 SCN10A (0.44) SCN10AKCNH2SCN1ASCN5ASCN9A
SCHEMBL12777890 0.62 — —

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-2011050160-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2011-04-28 — — WO disclosed
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