SCHEMBL9832611

SCHEMBL9832611

Cc1ccc(-c2nc(-c3ccccc3C(F)(F)F)n(C)n2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.52
TRPA1 O75762 3/20 0.44
TRPM8 Q7Z2W7 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
S1PR1 P21453 1/20 0.42

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
SCHEMBL9830814 0.88 HSD11B1 (0.54) HSD11B1TRPA1
SCHEMBL9829439 0.88 HSD11B1 (0.56) HSD11B1TRPA1TRPM8TRPV1
SCHEMBL9831676 0.88 HSD11B1 (0.53) HSD11B1TRPA1TRPM8TRPV1
SCHEMBL9830541 0.86 HSD11B1 (0.58) HSD11B1TRPA1
SCHEMBL9832170 0.82 HSD11B1 (0.54) HSD11B1TRPA1
SCHEMBL9831027 0.82 HSD11B1 (0.50) HSD11B1TRPA1
SCHEMBL9829855 0.81 HSD11B1 (0.53) HSD11B1TRPA1
SCHEMBL9830769 0.81 HSD11B1 (0.53) HSD11B1TRPA1
SCHEMBL9830395 0.81 HSD11B1 (0.66) HSD11B1TRPA1TRPM8TRPV1S1PR1
SCHEMBL9705543 0.80 HSD11B1 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185256-B1 TRIAZOLE DERIVATES, THEIR PREPARATION AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1991-01-30 EP disclosed
US-4788210-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
EP-0185256-A2 Triazole derivates, their preparation and their use as pesticides CIBA-GEIGY AG (CH) 1986-06-25 EP disclosed