SCHEMBL9926016

SCHEMBL9926016

O=C(O)N1CCC(OC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.64
CHRM2 P08172 3/20 0.64
ADRA2A P08913 3/20 0.64
CHRM1 P11229 3/20 0.64
DRD1 P21728 3/20 0.64
ADRA1A P35348 3/20 0.64
DRD3 P35462 3/20 0.64
SLC6A3 Q01959 3/20 0.64
KCNH2 Q12809 3/20 0.64
OPRM1 P35372 2/20 0.64
CYP2D6 P10635 2/20 0.64
HTR1A P08908 2/20 0.64
HRH3 Q9Y5N1 1/20 0.64
MAPK1 P28482 1/20 0.62
EPHX2 P34913 1/20 0.61
MGLL Q99685 1/20 0.56
BCHE P06276 5/20 0.53
GRM5 P41594 1/20 0.52
GRM7 Q14831 1/20 0.52
GRM3 Q14832 1/20 0.52

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
SCHEMBL9352924 0.92 BCHE (0.56) SLC6A2CHRM2ADRA2ACHRM1DRD1
SCHEMBL9356782 0.92 MEN1 (0.56) SLC6A2CHRM2ADRA2ACHRM1DRD1
SCHEMBL9356595 0.92 SLC6A3 (0.58) SLC6A2CHRM2ADRA2ACHRM1DRD1
SCHEMBL9353071 0.89 CHRM2 (0.56) SLC6A2CHRM2ADRA2ACHRM1DRD1
SCHEMBL9353165 0.88 CHRM2 (0.55) SLC6A2CHRM2ADRA2ACHRM1DRD1
SCHEMBL9352702 0.88 CHRM2 (0.62) SLC6A2CHRM2ADRA2ACHRM1DRD1
SCHEMBL9352983 0.88 BCHE (0.56) SLC6A2CHRM2ADRA2ACHRM1DRD1
SCHEMBL9357082 0.86 EPHX2 (0.49) SLC6A2CHRM2ADRA2ACHRM1DRD1
SCHEMBL9356796 0.86 CHRM2 (0.52) SLC6A2CHRM2ADRA2ACHRM1DRD1
SCHEMBL9352939 0.86 CHRM2 (0.52) SLC6A2CHRM2ADRA2ACHRM1DRD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012076919-A1 PROCESS OF PREPARING EBASTINE MICRO LABS LIMITED (IN) 2012-06-14 WO disclosed