SCHEMBL1824874

SCHEMBL1824874

c1ccc(OCNC2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
KCNA3 P22001 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
FOXM1 Q08050 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL15759842 0.81 HTR1B (0.39) KCNA3TDP1LMNAALDH1A1DRD2
SCHEMBL6688939 0.80 KDM4E (0.58) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL2474020 0.80 KDM4E (0.60) MEN1KMT2ATDP1ALDH1A1
SCHEMBL5562491 0.80 ATF4 (0.54) FOXM1
SCHEMBL2473347 0.78 KMT2A (0.48) MEN1KMT2ALMNADRD2DRD4
SCHEMBL2668605 0.73 KDM4E (0.56) MEN1KMT2ATDP1LMNAFOXM1
SCHEMBL8218962 0.73 KDM4E (0.53) MEN1KMT2ARAB9ATDP1FOXM1
SCHEMBL12204045 0.73 KDM4E (0.56) MEN1KMT2ATDP1LMNAFOXM1
SCHEMBL6689983 0.73 MEN1 (0.61) MEN1KMT2ATDP1ALDH1A1
SCHEMBL9071936 0.72 KDM4E (0.57) MEN1KMT2ATDP1ALDH1A1DRD2

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-1761509-B1 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-05-04 EP disclosed
EP-1761509-A2 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-14 EP disclosed
WO-2005111002-A2 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
EP-1595873-A1 Substituted cycloalkyl derivatives for the treatment of respiratory diseases Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-11-16 EP disclosed