SCHEMBL5330161

SCHEMBL5330161

CC1CCC(=O)N1CCNCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PER2 O15055 3/20 0.41
ACHE P22303 4/20 0.41
CXCR4 P61073 4/20 0.40
MAOA P21397 1/20 0.40
USP2 O75604 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 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
SCHEMBL23023201 0.81 CHRM2 (0.46) DPP7MEN1KMT2ATDP1
SCHEMBL2265479 0.77 HCRTR2 (0.50) MEN1KMT2APER2ACHEHCRTR1
SCHEMBL7407552 0.77 HCRTR2 (0.50) MEN1KMT2APER2ACHEHCRTR1
Hydrochloric Acid SCHEMBL5755220 0.73 DPP7 (0.54) DPP7ALDH1A1MEN1KMT2ATDP1
SCHEMBL7620679 0.72 CHRM2 (0.53) ACHE
SCHEMBL13327059 0.72 MEN1 (0.59) DPP7MEN1KMT2ATDP1ACHE
SCHEMBL12299009 0.71 PTGER4 (0.52) ALDH1A1USP2
SCHEMBL8225985 0.70 TSHR (0.60) DPP7ALDH1A1MEN1KMT2ATDP1
SCHEMBL27091858 0.69 HCRTR1 (0.58) ALDH1A1PER2HCRTR1HCRTR2
SCHEMBL4330615 0.68 CHRM2 (0.49) ALDH1A1MEN1KMT2APER2

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
WO-2007140982-A1 SUBSTITUTED BENZOXAZOLES BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed
WO-2007140982-A1 SUBSTITUTED BENZOXAZOLES BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed