SCHEMBL9256629

SCHEMBL9256629

COc1ccc(C(OC2CC[N]CC2)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.51
CHRM2 P08172 2/20 0.51
ADRA2A P08913 2/20 0.51
CHRM1 P11229 2/20 0.51
DRD1 P21728 2/20 0.51
SLC6A2 P23975 2/20 0.51
ADRA1A P35348 2/20 0.51
OPRM1 P35372 2/20 0.51
SLC6A3 Q01959 2/20 0.51
KCNH2 Q12809 2/20 0.51
CYP2D6 P10635 2/20 0.51
HTR1A P08908 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
MAPK1 P28482 1/20 0.50
DRD2 P14416 2/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL8643817 0.87 DRD3 (0.59) DRD3CHRM2ADRA2ACHRM1DRD1
SCHEMBL9256723 0.85 DRD3 (0.54) DRD3CHRM2ADRA2ACHRM1DRD1
SCHEMBL9563265 0.82 CHRM2 (0.51) DRD3CHRM2ADRA2ACHRM1DRD1
SCHEMBL9250346 0.82 SLC6A2 (0.51) DRD3CHRM2ADRA2ACHRM1DRD1
SCHEMBL9257214 0.82 DRD3 (0.59) DRD3CHRM2ADRA2ACHRM1DRD1
SCHEMBL9256621 0.81 IDO1 (0.51) DRD3CHRM2ADRA2ACHRM1DRD1
SCHEMBL9251016 0.79 ALDH1A1 (0.44) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL9250050 0.78 SLC6A3 (0.44) DRD3CHRM2ADRA2ACHRM1DRD1
SCHEMBL8697189 0.77 DRD2 (0.81) DRD3CHRM2ADRA2ACHRM1DRD1
SCHEMBL9353071 0.77 CHRM2 (0.56) DRD3CHRM2ADRA2ACHRM1DRD1

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
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed