SCHEMBL4611901

SCHEMBL4611901

Cn1nc(-c2ccccc2Cl)nc1-c1ccccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.56
TRPA1 O75762 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
KCNN4 O15554 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL9705543 0.95 HSD11B1 (0.62) HSD11B1TRPA1
SCHEMBL9830823 0.92 HSD11B1 (0.62) HSD11B1TRPA1
SCHEMBL9830651 0.86 HSD11B1 (0.54) HSD11B1NR1H2NR1H3
SCHEMBL6781711 0.85 HSD11B1 (0.48) HSD11B1
SCHEMBL9829989 0.85 HSD11B1 (0.53) HSD11B1TRPA1
SCHEMBL9830541 0.84 HSD11B1 (0.58) HSD11B1TRPA1NR1H2NR1H3
SCHEMBL9831595 0.84 HSD11B1 (0.56) HSD11B1TRPA1NR1H2NR1H3
SCHEMBL9831676 0.84 HSD11B1 (0.53) HSD11B1TRPA1TRPM8TRPV1
SCHEMBL9829841 0.84 HSD11B1 (0.66) HSD11B1NR1H2NR1H3
SCHEMBL9832170 0.83 HSD11B1 (0.54) HSD11B1TRPA1

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-1606269-B1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2008-10-29 EP claimed