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Sugi Predict / Compounds / SCHEMBL1971505

SCHEMBL1971505

SCHEMBL1971505

O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(N3CCN(c4ccccc4)CC3)n2)C1.O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(N3CCc4ccccc4C3)n2)C1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 15/20 0.60
▸ HSD11B1 P28845 5/20 0.57

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
SCHEMBL13182720 0.95 IDH1 (0.65) IDH1HSD11B1
SCHEMBL1969364 0.95 IDH1 (0.65) IDH1HSD11B1
SCHEMBL1971502 0.93 IDH1 (0.53) IDH1HSD11B1
SCHEMBL1975819 0.92 IDH1 (0.69) IDH1HSD11B1
SCHEMBL14215735 0.92 IDH1 (0.69) IDH1HSD11B1
SCHEMBL14981052 0.88 IDH1 (0.57) IDH1HSD11B1
SCHEMBL1970091 0.85 IDH1 (0.73) IDH1HSD11B1
SCHEMBL13182719 0.85 IDH1 (0.73) IDH1HSD11B1
SCHEMBL1973981 0.85 IDH1 (0.73) IDH1HSD11B1
SCHEMBL13182790 0.85 IDH1 (0.73) IDH1HSD11B1

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 3 patents. 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 claimed
EP-2086939-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS AstraZeneca AB (SE) 2009-08-12 — — EP claimed
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 — — WO claimed