SCHEMBL5049480

SCHEMBL5049480

CCN(C(=O)Cc1ccccc1)C1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.76
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
CCR5 P51681 8/20 0.53
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
CHRM1 P11229 1/20 0.50
HTR2A P28223 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.49
AGER Q15109 3/20 0.49
MTNR1A P48039 1/20 0.49

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
SCHEMBL5049557 0.98 L3MBTL1 (0.74) L3MBTL1MEN1KMT2ACCR5CHRM1
SCHEMBL7601798 0.92 L3MBTL1 (0.64) L3MBTL1MEN1KMT2ACCR5CHRM1
SCHEMBL16299033 0.87 MEN1 (0.77) L3MBTL1MEN1KMT2ACCR5ALDH1A1
SCHEMBL4027887 0.85 L3MBTL1 (0.57) L3MBTL1MEN1KMT2ACCR5SLC6A2
SCHEMBL21327683 0.84 L3MBTL1 (0.71) L3MBTL1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL29116794 0.84 L3MBTL1 (0.57) L3MBTL1MEN1KMT2ACCR5ALDH1A1
SCHEMBL5083771 0.82 OPRM1 (0.69) MEN1KMT2ACCR5CHRM1HTR2A
SCHEMBL4283829 0.81 CCR5 (0.62) L3MBTL1KMT2ACCR5ALDH1A1
SCHEMBL13434077 0.80 L3MBTL1 (0.54) L3MBTL1MEN1KMT2ACCR5CHRM1
SCHEMBL13434093 0.80 CCR5 (0.53) L3MBTL1MEN1KMT2ACCR5SLC6A4

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-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed