SCHEMBL1856847

SCHEMBL1856847

O=C(N1CC[C@@H](c2ccncc2)C1)N1CCCc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.71
SMN1; SMN2 Q16637 1/20 0.51
SMO Q99835 1/20 0.51
POLB P06746 2/20 0.50
HSD17B10 Q99714 1/20 0.49
NOTUM Q6P988 1/20 0.49
TSHR P16473 1/20 0.48
CNR2 P34972 1/20 0.47

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
SCHEMBL1856848 1.00 HSD11B1 (0.71) HSD11B1SMN1; SMN2SMOPOLBHSD17B10
SCHEMBL1854997 0.94 HSD11B1 (0.79) HSD11B1SMN1; SMN2SMOPOLBHSD17B10
Hydrochloric Acid SCHEMBL1857334 0.93 HSD11B1 (0.78) HSD11B1SMN1; SMN2SMOPOLBHSD17B10
SCHEMBL3932825 0.86 HSD11B1 (0.66) HSD11B1SMN1; SMN2SMOPOLBHSD17B10
SCHEMBL1857858 0.86 HSD11B1 (0.66) HSD11B1SMN1; SMN2SMOPOLBHSD17B10
SCHEMBL1860172 0.84 HSD11B1 (0.62) HSD11B1SMN1; SMN2SMOPOLBTSHR
SCHEMBL5421718 0.84 HSD11B1 (0.78) HSD11B1SMN1; SMN2SMOPOLBNOTUM
SCHEMBL1860343 0.83 HSD11B1 (0.68) HSD11B1SMN1; SMN2SMOPOLBNOTUM
SCHEMBL1856555 0.83 HSD11B1 (0.67) HSD11B1SMN1; SMN2SMOPOLBHSD17B10
SCHEMBL4171896 0.83 HSD11B1 (1.00) HSD11B1POLB

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
US-7947834-B2 Substituted quinoxalines, their preparation and their therapeutical use as 11βHSD1 modulators SANOFI-AVENTIS (FR) 2011-05-24 US disclosed