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Sugi Predict / Compounds / SCHEMBL1974313

SCHEMBL1974313

SCHEMBL1974313

CCCSc1nc(N2CCC[C@H]2C(=O)O)ccc1C(=O)NC1C2CC3CC(C2)CC1C3.CCCSc1nc([C@@]2(CC(=O)O)CCNC2)ccc1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 19/20 0.57
▸ IDH1 O75874 1/20 0.43

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
SCHEMBL1967234 0.88 HSD11B1 (0.53) HSD11B1
SCHEMBL4451243 0.88 HSD11B1 (0.53) HSD11B1
SCHEMBL2007463 0.87 HSD11B1 (0.73) HSD11B1IDH1
SCHEMBL4446082 0.87 HSD11B1 (0.73) HSD11B1IDH1
SCHEMBL1973870 0.85 HSD11B1 (0.51) HSD11B1
SCHEMBL1967748 0.81 HSD11B1 (0.53) HSD11B1IDH1
SCHEMBL1972606 0.81 HSD11B1 (0.66) HSD11B1IDH1
SCHEMBL1972392 0.78 HSD11B1 (0.50) HSD11B1
SCHEMBL1969928 0.78 HSD11B1 (0.64) HSD11B1IDH1
SCHEMBL1969176 0.78 HSD11B1 (0.61) 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
EP-2086939-B8 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2011-06-22 — — EP disclosed