SCHEMBL14412974

SCHEMBL14412974

O=C(NC1CCC2CC3CC(C2)C1C3)c1cnn(C2CC2)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.45
SPR P35270 1/20 0.37
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL12809777 1.00 HSD11B1 (0.45) HSD11B1SPRHSD17B10ALDH1A1MEN1
SCHEMBL14412803 0.96 HSD11B1 (0.43) HSD11B1SPRHSD17B10ALDH1A1MEN1
SCHEMBL14412815 0.96 HSD11B1 (0.43) HSD11B1SPRHSD17B10ALDH1A1MEN1
SCHEMBL12809449 0.87 HSD11B1 (0.45) HSD11B1SPRHSD17B10ALDH1A1MEN1
SCHEMBL12809739 0.85 HSD11B1 (0.44) HSD11B1SPRHSD17B10ALDH1A1MEN1
SCHEMBL12809450 0.85 HSD11B1 (0.44) HSD11B1SPRHSD17B10ALDH1A1MEN1
SCHEMBL1406856 0.84 HSD11B1 (0.61) HSD11B1HTTLMNA
SCHEMBL14412570 0.83 HSD11B1 (0.44) HSD11B1
SCHEMBL14412582 0.80 HTT (0.36) HSD11B1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL12809716 0.80 HSD11B1 (0.43) HSD11B1SPR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed