SCHEMBL4718472

SCHEMBL4718472

CC(C)(CO)n1ncc(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.46
CNR1 P21554 5/20 0.46
MDH1 P40925 1/20 0.41
MDH2 P40926 1/20 0.41
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
CASR P41180 3/20 0.39
DPP7 Q9UHL4 1/20 0.38
EPHX2 P34913 2/20 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
SCHEMBL1406543 0.80 POLB (0.49) CNR2CASREPHX2
SCHEMBL1407069 0.80 HSD11B1 (0.56)
SCHEMBL1407052 0.80 HSD11B1 (0.56)
SCHEMBL13294093 0.80 HSD11B1 (0.56)
SCHEMBL14412986 0.75 HSD11B1 (0.42)
SCHEMBL4718475 0.74 HSD11B1 (0.40)
SCHEMBL1406759 0.73 POLB (0.57) CNR2CNR1CASREPHX2
SCHEMBL1406963 0.71 POLB (0.49)
SCHEMBL1407169 0.70 CASR (0.50) CNR2CNR1CASR
SCHEMBL13293983 0.69 HSD11B1 (0.59)

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-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 EP disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed