SCHEMBL4697348

SCHEMBL4697348

CCCCNC(=O)N1CC2CC1CN2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
CHRNB3 Q05901 1/20 0.48
CHRNA6 Q15825 1/20 0.48
HTT P42858 2/20 0.39
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PRCP P42785 1/20 0.36
NAMPT P43490 2/20 0.36
ASAH1 Q13510 1/20 0.36
BCHE P06276 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL30879640 0.91 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1554770 0.74 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4697419 0.74 CHRNB2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL618861 0.73 CHRNB2 (0.67) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12801548 0.73 CHRNB2 (0.67) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18307174 0.73 CHRNB2 (0.67) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3241059 0.73 L3MBTL1 (0.39) CHRNB2CHRNA3CHRNA4HTTPKM
SCHEMBL3989913 0.72 MC4R (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4408215 0.71 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13050999 0.71 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP claimed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 WO claimed
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP disclosed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 WO disclosed