SCHEMBL5162115

SCHEMBL5162115

CC(C)(C)C1CN(C(=O)O)CCc2cc(Oc3ccc(N)cc3F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.37
NR1H2 P55055 1/20 0.36
KDM4C Q9H3R0 2/20 0.35
KDM6B O15054 1/20 0.35
RORC P51449 4/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CHRM4 P08173 2/20 0.33
PRSS1 P07477 1/20 0.33
TMPRSS15 P98073 1/20 0.33
CPS1 P31327 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MTNR1B P49286 1/20 0.32
BTK Q06187 2/20 0.32
GHSR Q92847 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
SCHEMBL5160843 0.89 KDM4C (0.35) MAPK14KDM4CKDM6BRORCCHRM4
SCHEMBL5160824 0.85 HSPB1 (0.40) CA1CA2CA9CA14GHSR
SCHEMBL6223683 0.85 PLA2G7 (0.42) RORCGHSR
SCHEMBL4637682 0.84 NR1H2 (0.46) NR1H2CA1CA2CA9CA14
SCHEMBL5162126 0.83 KDM4C (0.38) MAPK14KDM4CKDM6BRORCCHRM4
SCHEMBL5713459 0.81 GHSR (0.44) CHRM4MTNR1BGHSR
SCHEMBL5551729 0.79 ESR1 (0.47) CA1CA2CA9CA14ESR1
SCHEMBL2121244 0.79 ESR1 (0.40) ESR1ESR2
SCHEMBL6225107 0.78 MAPK1 (0.37) KDM4C
SCHEMBL6226193 0.77 HRH3 (0.41) KDM4C

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-1756094-A1 3-CYCLOALKYLBENZAZEPINES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-28 EP disclosed
WO-2005123723-A1 3-CYCLOALKYLBENZAZEPINES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-12-29 WO disclosed
EP-1572215-A1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-14 EP disclosed
WO-2004056369-A1 BENZO ‘ D!AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2004-07-08 WO disclosed