SCHEMBL551055

SCHEMBL551055

N#CCc1cccc(N2CCCC3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.38
HCRTR2 O43614 5/20 0.35
HCRTR1 O43613 4/20 0.35
PRMT6 Q96LA8 1/20 0.34
OTUD7B Q6GQQ9 2/20 0.34
DPP4 P27487 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 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
SCHEMBL2699554 1.00 HSD11B1 (0.38) HSD11B1HCRTR2HCRTR1PRMT6OTUD7B
SCHEMBL2699559 1.00 HSD11B1 (0.38) HSD11B1HCRTR2HCRTR1PRMT6OTUD7B
SCHEMBL549743 1.00 HSD11B1 (0.38) HSD11B1HCRTR2HCRTR1PRMT6OTUD7B
SCHEMBL551056 1.00 HSD11B1 (0.38) HSD11B1HCRTR2HCRTR1PRMT6OTUD7B
SCHEMBL549742 1.00 HSD11B1 (0.38) HSD11B1HCRTR2HCRTR1PRMT6OTUD7B
SCHEMBL2702427 0.88 HSD11B1 (0.43) HSD11B1
SCHEMBL550851 0.88 HSD11B1 (0.43) HSD11B1
SCHEMBL550850 0.88 HSD11B1 (0.43) HSD11B1
SCHEMBL2702428 0.88 HSD11B1 (0.43) HSD11B1
SCHEMBL549793 0.85 NOTUM (0.43) HSD11B1HCRTR2HCRTR1DRD2DRD3

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-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed