SCHEMBL5049557

SCHEMBL5049557

CCN(C(=O)Cc1ccccc1)C1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.74
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
CCR5 P51681 11/20 0.54
CHRM1 P11229 1/20 0.51
HTR2A P28223 1/20 0.51
LMNA P02545 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
CTSD P07339 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
SCHEMBL5049480 0.98 L3MBTL1 (0.76) L3MBTL1MEN1KMT2ACCR5CHRM1
SCHEMBL7601798 0.94 L3MBTL1 (0.64) L3MBTL1MEN1KMT2ACCR5CHRM1
SCHEMBL4027887 0.87 L3MBTL1 (0.57) L3MBTL1MEN1KMT2ACCR5CHRM1
SCHEMBL16299033 0.85 MEN1 (0.77) L3MBTL1MEN1KMT2ACCR5LMNA
SCHEMBL5083771 0.83 OPRM1 (0.69) MEN1KMT2ACCR5CHRM1HTR2A
SCHEMBL21327683 0.82 L3MBTL1 (0.71) L3MBTL1MEN1KMT2ALMNA
SCHEMBL29116794 0.82 L3MBTL1 (0.57) L3MBTL1MEN1KMT2ACCR5LMNA
SCHEMBL13434077 0.81 L3MBTL1 (0.54) L3MBTL1MEN1KMT2ACCR5CHRM1
SCHEMBL13434093 0.81 CCR5 (0.53) L3MBTL1MEN1KMT2ACCR5LMNA
SCHEMBL4025012 0.80 CCR5 (0.81) CCR5CHRM1HTR2A

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