SCHEMBL7987984

SCHEMBL7987984

C[C@H](Oc1ncc(N)cc1Cl)c1nnc(-c2ccccc2C(F)(F)F)n1C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.50
HSD11B2 P80365 1/20 0.41
SCN9A Q15858 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
SCHEMBL7982228 0.89 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL7984554 0.89 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL7985076 0.89 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL7984121 0.89 HSD11B1 (0.50) HSD11B1
SCHEMBL7977548 0.88 HSD11B1 (0.47) HSD11B1
SCHEMBL7991818 0.86 HSD11B1 (0.46) HSD11B1HSD11B2SCN9A
SCHEMBL12671005 0.86 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL7982107 0.84 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL7983813 0.83 HSD11B1 (0.56) HSD11B1HSD11B2
SCHEMBL7974537 0.82 HSD11B1 (0.51) 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