SCHEMBL12809449

SCHEMBL12809449

Cn1ncc(C(=O)NC2CCC3CC4CC(C3)C2C4)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.45
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
SPR P35270 1/20 0.39
SSTR2 P30874 1/20 0.38
KCNH2 Q12809 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
MET P08581 1/20 0.36
AXL P30530 1/20 0.36
HSD17B10 Q99714 1/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL12809450 0.87 HSD11B1 (0.44) HSD11B1LMNAHTTSPRHSD17B10
SCHEMBL12809739 0.87 HSD11B1 (0.44) HSD11B1LMNAHTTSPRHSD17B10
SCHEMBL14412974 0.87 HSD11B1 (0.45) HSD11B1LMNAHTTSPRHSD17B10
SCHEMBL12809777 0.87 HSD11B1 (0.45) HSD11B1LMNAHTTSPRHSD17B10
SCHEMBL12809747 0.86 HTT (0.49) HSD11B1LMNAHTTHSD17B10ALDH1A1
SCHEMBL14412803 0.83 HSD11B1 (0.43) HSD11B1SPRHSD17B10ALDH1A1MEN1
SCHEMBL14412815 0.83 HSD11B1 (0.43) HSD11B1SPRHSD17B10ALDH1A1MEN1
SCHEMBL1406622 0.83 HSD11B1 (0.62) HSD11B1LMNAHTTALDH1A1SMN1; SMN2
SCHEMBL12809710 0.80 HTT (0.40) HSD11B1LMNAHTTHSD17B10ALDH1A1
SCHEMBL12809567 0.80 LMNA (0.40) HSD11B1LMNAHTTHSD17B10ALDH1A1

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-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed