SCHEMBL7980917

SCHEMBL7980917

Cn1c(-c2ccc(N)cc2C(F)(F)F)nnc1C(C)(C)O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
HSD11B1 P28845 18/20 0.46

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
SCHEMBL12670878 0.85 HSD11B1 (0.53) HSD11B1
SCHEMBL7995131 0.81 HSD11B1 (0.49) HSD11B1
SCHEMBL12670877 0.81 HSD11B1 (0.43) HSD11B1
SCHEMBL7995217 0.81 HSD11B1 (0.71) HSD11B1
SCHEMBL7984098 0.79 HSD11B1 (0.42) GLAPOLBGAATSHRHSD11B1
SCHEMBL7988226 0.78 GLA (0.47) GLAPOLBGAATSHRHSD11B1
SCHEMBL7985222 0.78 GLA (0.47) GLAPOLBGAATSHRHSD11B1
SCHEMBL7991957 0.77 HSD11B1 (0.43) GLAPOLBGAATSHRHSD11B1
SCHEMBL7985356 0.76 HSD11B1 (0.56) HSD11B1
SCHEMBL7981860 0.75 HSD11B1 (0.43) GLAPOLBGAATSHRHSD11B1

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