SCHEMBL1968067

SCHEMBL1968067

O=C(O)C[C@]1(c2ccc(C(=O)NC3CCCCC3)c(SC3CCCCC3)n2)CCCNC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.51
IDH1 O75874 2/20 0.39
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1968155 0.95 HSD11B1 (0.51) HSD11B1IDH1ALDH1A1RAB9A
SCHEMBL1970361 0.95 HSD11B1 (0.51) HSD11B1IDH1ALDH1A1RAB9A
SCHEMBL1968004 0.95 HSD11B1 (0.51) HSD11B1IDH1ALDH1A1RAB9A
SCHEMBL1969252 0.87 HSD11B1 (0.69) HSD11B1IDH1
SCHEMBL1967351 0.86 HSD11B1 (0.61) HSD11B1
SCHEMBL1970498 0.85 HSD11B1 (0.41) HSD11B1ALDH1A1RAB9A
SCHEMBL4455215 0.84 HSD11B1 (0.39) HSD11B1IDH1ALDH1A1RAB9A
SCHEMBL1973698 0.83 IDH1 (0.58) HSD11B1IDH1
SCHEMBL1972364 0.82 CNR2 (0.41) HSD11B1IDH1ALDH1A1RAB9A
SCHEMBL1969176 0.82 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 5 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
EP-2086939-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS AstraZeneca AB (SE) 2009-08-12 EP disclosed
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 WO disclosed