SCHEMBL4455215

SCHEMBL4455215

O=C(O)C[C@@]1(c2ccc(C(=O)NC3CCCCC3)c(C3CC3)n2)CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
PBK Q96KB5 5/20 0.38
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 3/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.35
IDH1 O75874 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL1968452 0.90 HSD11B1 (0.47) HSD11B1IDH1
SCHEMBL1970498 0.87 HSD11B1 (0.41) HSD11B1ALDH1A1GAAKDM4EKMT2A
SCHEMBL1973706 0.86 HSD11B1 (0.46) HSD11B1
SCHEMBL1972364 0.85 CNR2 (0.41) HSD11B1ALDH1A1KDM4ERAB9AHPGD
SCHEMBL1970094 0.84 MEN1 (0.48) HSD11B1KMT2AMEN1IDH1
SCHEMBL1968067 0.84 HSD11B1 (0.51) HSD11B1ALDH1A1RAB9AIDH1
SCHEMBL1970096 0.83 HSD11B1 (0.51) HSD11B1
SCHEMBL1969400 0.82 HSD11B1 (0.51) HSD11B1IDH1
SCHEMBL1967072 0.82 HSD11B1 (0.52) HSD11B1IDH1
SCHEMBL1967351 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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