SCHEMBL2774716

SCHEMBL2774716

OC1CCN(CCc2ccc3c(c2)CCO3)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.61
CHRM1 P11229 5/20 0.61
SLC6A4 P31645 4/20 0.61
CHRM4 P08173 3/20 0.61
CHRM3 P20309 3/20 0.61
CHRM2 P08172 2/20 0.61
ADRB2 P07550 1/20 0.61
ADRB1 P08588 1/20 0.61
ADRA2A P08913 1/20 0.61
DRD2 P14416 1/20 0.61
KCNE1 P15382 1/20 0.61
ADRA2B P18089 1/20 0.61
ADRA2C P18825 1/20 0.61
HRH2 P25021 1/20 0.61
HTR2A P28223 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRM1 P35372 1/20 0.61
OPRK1 P41145 1/20 0.61
HTR2B P41595 1/20 0.61
KCNQ1 P51787 1/20 0.61

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
SCHEMBL3950616 1.00 CHRM5 (0.61) CHRM5CHRM1SLC6A4CHRM4CHRM3
SCHEMBL3949670 1.00 CHRM5 (0.61) CHRM5CHRM1SLC6A4CHRM4CHRM3
SCHEMBL2773429 0.85 CHRM5 (0.61) CHRM5CHRM1SLC6A4CHRM4CHRM3
SCHEMBL5918305 0.84 SLC6A4 (0.58) CHRM5CHRM1SLC6A4CHRM4CHRM3
SCHEMBL6182068 0.83 SLC6A4 (0.57) CHRM5CHRM1SLC6A4CHRM4CHRM3
SCHEMBL5918309 0.83 SLC6A4 (0.57) CHRM5CHRM1SLC6A4CHRM4CHRM3
SCHEMBL6802893 0.81 HRH3 (0.50) ADRA1AHRH3
SCHEMBL2774155 0.80 SLC6A4 (0.56) CHRM5CHRM1SLC6A4CHRM4CHRM3
SCHEMBL6182063 0.80 SLC6A4 (0.54) CHRM5CHRM1SLC6A4CHRM4CHRM3
SCHEMBL2776390 0.80 SLC6A4 (0.54) CHRM5CHRM1SLC6A4CHRM4CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010112488-A1 METHOD FOR OBTAINING 1,3-DIFUNCTIONALIZED PYRROLIDINE DERIVATIVES RAGACTIVES, S.L.U. (ES) 2010-10-07 WO claimed
EP-2236509-A1 Method for obtaining 1,3-difunctionalized pyrrolidine derivatives Ragactives, S.L. (ES) 2010-10-06 EP claimed
WO-2009125426-A2 NOVEL PROCESS FOR THE PREPARATION OF (3SM-[2-(2 J-DIHYDRO-5- BENZOFURANYLϊETHYL]-α.α -DIPHENYL-3-PYRROLIDINEACETAMIDE HYDROBROMIDE NEULAND LABORATORIES LTD (IN) 2009-10-15 WO claimed
WO-2010112488-A1 METHOD FOR OBTAINING 1,3-DIFUNCTIONALIZED PYRROLIDINE DERIVATIVES RAGACTIVES, S.L.U. (ES) 2010-10-07 WO disclosed
WO-2010112488-A1 METHOD FOR OBTAINING 1,3-DIFUNCTIONALIZED PYRROLIDINE DERIVATIVES RAGACTIVES, S.L.U. (ES) 2010-10-07 WO disclosed
EP-2236509-A1 Method for obtaining 1,3-difunctionalized pyrrolidine derivatives Ragactives, S.L. (ES) 2010-10-06 EP disclosed
EP-2236509-A1 Method for obtaining 1,3-difunctionalized pyrrolidine derivatives Ragactives, S.L. (ES) 2010-10-06 EP disclosed
WO-2009125426-A2 NOVEL PROCESS FOR THE PREPARATION OF (3SM-[2-(2 J-DIHYDRO-5- BENZOFURANYLϊETHYL]-α.α -DIPHENYL-3-PYRROLIDINEACETAMIDE HYDROBROMIDE NEULAND LABORATORIES LTD (IN) 2009-10-15 WO disclosed