SCHEMBL7968413

SCHEMBL7968413

C[C@H](Oc1cccnc1N)c1nnc(-c2ccccc2C(F)(F)F)n1C

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.51
MET P08581 1/20 0.40
HSD11B2 P80365 1/20 0.40

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
SCHEMBL7970920 0.85 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL7982110 0.85 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL12670999 0.85 HSD11B1 (0.48) HSD11B1HSD11B2
SCHEMBL7983827 0.81 HSD11B1 (0.51) HSD11B1
SCHEMBL7981282 0.81 HSD11B1 (0.56) HSD11B1HSD11B2
SCHEMBL7979418 0.80 HSD11B1 (0.50) HSD11B1
SCHEMBL7988082 0.80 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL7979290 0.80 HSD11B1 (0.52) HSD11B1
SCHEMBL7970923 0.80 HSD11B1 (0.55) HSD11B1HSD11B2
SCHEMBL7984577 0.80 HSD11B1 (0.55) 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