SCHEMBL7984577

SCHEMBL7984577

C[C@H](Oc1ccc(Cl)cc1N)c1nnc(-c2ccccc2C(F)(F)F)n1C

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.55
HSD11B2 P80365 1/20 0.44

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
SCHEMBL7970923 1.00 HSD11B1 (0.55) HSD11B1HSD11B2
SCHEMBL7984538 0.87 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL7982107 0.86 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL7982227 0.85 HSD11B1 (0.53) HSD11B1HSD11B2
SCHEMBL1418336 0.85 HSD11B1 (0.53) HSD11B1HSD11B2
SCHEMBL12670997 0.85 HSD11B1 (0.53) HSD11B1HSD11B2
Hydrochloric Acid SCHEMBL1418331 0.85 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL1417520 0.84 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL7987572 0.83 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL1420207 0.83 HSD11B1 (0.50) HSD11B1HSD11B2

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-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed