SCHEMBL17082140

SCHEMBL17082140

N#CC[C@H]1CC[C@H](N2CC[C@@]3(CCCN(c4ccc(C(F)(F)F)cc4)C3)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.41
EBP Q15125 5/20 0.41
HTR7 P34969 1/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
HCRTR2 O43614 1/20 0.36
LIPE Q05469 2/20 0.36
KCNH2 Q12809 3/20 0.34
PTGES O14684 2/20 0.34
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL550444 1.00 HSD11B1 (0.41) HSD11B1EBPHTR7FPR1FPR2
SCHEMBL550443 1.00 HSD11B1 (0.41) HSD11B1EBPHTR7FPR1FPR2
SCHEMBL550496 0.87 HSD11B1 (0.41) HSD11B1EBPHTR7FPR1FPR2
SCHEMBL17082135 0.87 HSD11B1 (0.41) HSD11B1EBPHTR7FPR1FPR2
SCHEMBL17082030 0.86 HTR7 (0.42) HSD11B1HTR7HCRTR2
SCHEMBL550819 0.86 HTR7 (0.42) HSD11B1HTR7HCRTR2
SCHEMBL550818 0.86 HTR7 (0.42) HSD11B1HTR7HCRTR2
SCHEMBL549280 0.85 HSD11B1 (0.43) HSD11B1EBPHTR7FPR1FPR2
SCHEMBL549281 0.85 HSD11B1 (0.43) HSD11B1EBPHTR7FPR1FPR2
SCHEMBL4570105 0.85 HSD11B1 (0.41) HSD11B1EBPHTR7FPR1FPR2

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
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed