SCHEMBL5160843

SCHEMBL5160843

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.35
KDM6B O15054 1/20 0.35
RORC P51449 5/20 0.34
CHRM4 P08173 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
GRIN2C Q14957 1/20 0.33
TP53 P04637 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MTNR1B P49286 1/20 0.32
MAPK14 Q16539 1/20 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
SCHEMBL5162115 0.89 MAPK14 (0.37) KDM4CKDM6BRORCCHRM4ESR1
SCHEMBL5160824 0.85 HSPB1 (0.40) MEN1KMT2ALMNAGRIN2CGHSR
SCHEMBL6223683 0.85 PLA2G7 (0.42) RORCLMNATP53GHSR
SCHEMBL5160848 0.83 KDM4C (0.38) KDM4CKDM6BRORCCHRM4MEN1
SCHEMBL5713459 0.81 GHSR (0.44) CHRM4MEN1KMT2AMTNR1BGHSR
SCHEMBL5551729 0.79 ESR1 (0.47) KMT2ALMNAESR1ESR2MTNR1B
SCHEMBL2121244 0.79 ESR1 (0.40) ESR1ESR2
SCHEMBL6225107 0.78 MAPK1 (0.37) KDM4CKMT2ALMNATP53
SCHEMBL6226193 0.77 HRH3 (0.41) KDM4C
SCHEMBL6225379 0.76 MAPK1 (0.41) MEN1KMT2ALMNA

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 2 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