SCHEMBL12469550

SCHEMBL12469550

O=C(O)N1CCC(F)(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.46
SCD5 Q86SK9 1/20 0.44
KMT2A Q03164 2/20 0.44
TET3 O43151 1/20 0.44
FBXL19 Q6PCT2 1/20 0.44
CXXC5 Q7LFL8 1/20 0.44
TET1 Q8NFU7 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
CXXC4 Q9H2H0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
OPRM1 P35372 1/20 0.44
MEN1 O00255 1/20 0.44
OGA O60502 1/20 0.42
AKR1C1 Q04828 1/20 0.40
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4728073 0.86 HSD11B1 (0.44) HSD11B1OPRM1GRM5
SCHEMBL11963480 0.82 MEN1 (0.42) HSD11B1KMT2AOPRM1MEN1ALDH1A1
SCHEMBL9052325 0.81 OPRM1 (0.58) HSD11B1KMT2ATET3FBXL19CXXC5
SCHEMBL25413622 0.81 HSD11B1 (0.42) HSD11B1KMT2AOPRM1MEN1AKR1C1
SCHEMBL5807539 0.80 FASN (0.47)
SCHEMBL795975 0.79 ALDH1A1 (0.56) HSD11B1KMT2AOPRM1MEN1ALDH1A1
SCHEMBL27645813 0.79 SCD5 (0.42) HSD11B1SCD5KMT2ATET3FBXL19
SCHEMBL237234 0.78 TSHR (0.56) SCD5KMT2AMEN1TSHR
SCHEMBL10322683 0.78 OPRM1 (0.47) HSD11B1KMT2ATET3FBXL19CXXC5
SCHEMBL23779147 0.78 KMT2A (0.69) HSD11B1KMT2ATET3FBXL19CXXC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678334-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2014-01-01 EP disclosed
EP-2627651-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-08-21 EP disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 WO disclosed
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 WO disclosed