SCHEMBL550019

SCHEMBL550019

N#Cc1cccc(N2CCCC3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
HSD11B1 P28845 6/20 0.43
NSD2 O96028 1/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
LCAT P04180 1/20 0.40
KCNJ1 P48048 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ALOX5 P09917 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37
FASN P49327 1/20 0.36
C1S P09871 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL550020 1.00 NOTUM (0.43) NOTUMHSD11B1NSD2DRD2DRD3
SCHEMBL2698136 1.00 NOTUM (0.43) NOTUMHSD11B1NSD2DRD2DRD3
SCHEMBL549794 1.00 NOTUM (0.43) NOTUMHSD11B1NSD2DRD2DRD3
SCHEMBL549793 1.00 NOTUM (0.43) NOTUMHSD11B1NSD2DRD2DRD3
SCHEMBL2698132 1.00 NOTUM (0.43) NOTUMHSD11B1NSD2DRD2DRD3
SCHEMBL550337 0.87 HSD11B1 (0.43) HSD11B1LCATKCNJ1FASN
SCHEMBL550338 0.87 HSD11B1 (0.43) HSD11B1LCATKCNJ1FASN
SCHEMBL2699554 0.85 HSD11B1 (0.38) HSD11B1DRD2DRD3HCRTR1HCRTR2
SCHEMBL551056 0.85 HSD11B1 (0.38) HSD11B1DRD2DRD3HCRTR1HCRTR2
SCHEMBL551055 0.85 HSD11B1 (0.38) HSD11B1DRD2DRD3HCRTR1HCRTR2

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