SCHEMBL550672

SCHEMBL550672

N#Cc1ccc(N2CCCC3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FASN P49327 1/20 0.34
ALK Q9UM73 2/20 0.33
BACE1 P56817 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
PARP1 P09874 1/20 0.33
TNK1 Q13470 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL4570191 1.00 HSD11B1 (0.38) HSD11B1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2698001 1.00 HSD11B1 (0.38) HSD11B1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL550673 1.00 HSD11B1 (0.38) HSD11B1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL550174 1.00 HSD11B1 (0.38) HSD11B1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2697999 1.00 HSD11B1 (0.38) HSD11B1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL550175 1.00 HSD11B1 (0.38) HSD11B1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL550162 0.88 SLC6A9 (0.38) HSD11B1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL550161 0.88 SLC6A9 (0.38) HSD11B1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL550338 0.83 HSD11B1 (0.43) HSD11B1KDM4EFASNALK
SCHEMBL550337 0.83 HSD11B1 (0.43) HSD11B1KDM4EFASNALK

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