SCHEMBL4650554

SCHEMBL4650554

O=C(NC1C2CCC1CN(CCc1ccc3c(c1)OCC3)C2)C1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.41
CHRM5 P08912 4/20 0.41
CHRM2 P08172 3/20 0.41
CHRM3 P20309 3/20 0.41
CHRM4 P08173 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
KCNE1 P15382 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HRH2 P25021 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
KCNQ1 P51787 1/20 0.41

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
SCHEMBL4925770 0.89 PTPN1 (0.44) CHRM1CHRM5CHRM2CHRM3CHRM4
SCHEMBL4622472 0.87 CHRM1 (0.39) CHRM1CHRM5CHRM2CHRM3CHRM4
SCHEMBL4648634 0.83 CHRM2 (0.40) CHRM1CHRM5CHRM2CHRM3CHRM4
SCHEMBL4649360 0.80 SIGMAR1 (0.48) DRD2FAAHNPSR1
SCHEMBL4649758 0.77 POLB (0.46) DRD2POLBMMP8MMP3CFTR
SCHEMBL4649730 0.75 NAMPT (0.42) ADRA1APOLBMMP8
SCHEMBL4649174 0.71 TSHR (0.42) ADRA1AMMP8
SCHEMBL4649679 0.70 POLB (0.45) OPRM1POLBMMP8MMP3CFTR
SCHEMBL4648949 0.70 PTPN1 (0.45) DRD2ADRA1APOLBPTPN1
SCHEMBL4803652 0.69 PTPN1 (0.42) DRD2FAAHPTPN1NPSR1

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-1904495-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP claimed
WO-2007007281-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
EP-1904495-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007281-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed