SCHEMBL7985222

SCHEMBL7985222

C[C@H](O)c1nnc(-c2ccc(N)cc2C(F)(F)F)n1C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
HSD11B1 P28845 18/20 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
SCHEMBL7988226 1.00 GLA (0.47) GLAPOLBGAATSHRHSD11B1
SCHEMBL12670873 0.81 HSD11B1 (0.42) HSD11B1
SCHEMBL1417560 0.81 HSD11B1 (0.42) HSD11B1
SCHEMBL7991381 0.81 HSD11B1 (0.69) HSD11B1
SCHEMBL1417665 0.81 HSD11B1 (0.69) HSD11B1
SCHEMBL1417836 0.81 HSD11B1 (0.69) HSD11B1
SCHEMBL7980917 0.78 GLA (0.49) GLAPOLBGAATSHRHSD11B1
SCHEMBL7988166 0.76 GLA (0.36) GLAPOLBGAATSHRHSD11B1
SCHEMBL7979418 0.71 HSD11B1 (0.50) HSD11B1
SCHEMBL7979290 0.70 HSD11B1 (0.52) HSD11B1

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