SCHEMBL1970986

SCHEMBL1970986

CCCN(C)c1nc([C@]2(CC(=O)O)CCCNC2)ccc1C(=O)N(C)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.51
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
IDH1 O75874 1/20 0.34
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL1971117 0.93 HSD11B1 (0.45) HSD11B1IDH1MAPT
SCHEMBL1975069 0.84 HSD11B1 (0.52) HSD11B1
SCHEMBL1969592 0.84 HSD11B1 (0.52) HSD11B1
SCHEMBL1973300 0.82 HSD11B1 (0.48) HSD11B1TSHRIDH1KMT2ASMN1; SMN2
SCHEMBL4449144 0.78 HSD11B1 (0.43) HSD11B1TSHRIDH1MEN1KMT2A
SCHEMBL1968877 0.76 HSD11B1 (0.51) HSD11B1
SCHEMBL1979989 0.76 HSD11B1 (0.51) HSD11B1
SCHEMBL1973571 0.75 HSD11B1 (0.43) HSD11B1ALDH1A1
SCHEMBL2006694 0.74 HSD11B1 (0.60) HSD11B1HPGDTSHRIDH1MAPT
SCHEMBL1967906 0.74 HSD11B1 (0.42) 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 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