SCHEMBL4417878

SCHEMBL4417878

Cc1cc(O[C@@]2(O)[C@H](O)O[C@@H](CO)[C@H](O)[C@H]2O)c2c(c1)nnn2CCc1ccc2c(c1)CCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 13/20 0.49
▸ SLC5A1 P13866 8/20 0.46
▸ CHRM5 P08912 5/20 0.32
▸ CHRM1 P11229 5/20 0.32
▸ MET P08581 1/20 0.32
▸ PDE8B O95263 1/20 0.32
▸ CHRM2 P08172 2/20 0.31
▸ CHRM4 P08173 2/20 0.31
▸ CHRM3 P20309 2/20 0.31
▸ ADRB2 P07550 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ KCNE1 P15382 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ HRH2 P25021 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ ADRA1A P35348 1/20 0.30

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
SCHEMBL3409072 1.00 SLC5A2 (0.49) SLC5A2SLC5A1CHRM5CHRM1MET
SCHEMBL3409074 1.00 SLC5A2 (0.49) SLC5A2SLC5A1CHRM5CHRM1MET
SCHEMBL3410755 1.00 SLC5A2 (0.49) SLC5A2SLC5A1CHRM5CHRM1MET
SCHEMBL3410768 0.90 SLC5A2 (0.54) SLC5A2SLC5A1CHRM5CHRM1PDE8B
SCHEMBL4416370 0.90 SLC5A2 (0.54) SLC5A2SLC5A1CHRM5CHRM1PDE8B
SCHEMBL3410769 0.90 SLC5A2 (0.54) SLC5A2SLC5A1CHRM5CHRM1PDE8B
SCHEMBL3412686 0.90 SLC5A2 (0.54) SLC5A2SLC5A1CHRM5CHRM1PDE8B
SCHEMBL4417587 0.87 SLC5A2 (0.60) SLC5A2SLC5A1CHRM5CHRM1CHRM2
SCHEMBL3406580 0.87 SLC5A2 (0.60) SLC5A2SLC5A1CHRM5CHRM1CHRM2
SCHEMBL3406575 0.87 SLC5A2 (0.60) SLC5A2SLC5A1CHRM5CHRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1679966-A4 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 — — EP claimed
EP-1679966-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 — — EP claimed
WO-2005012242-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2005-02-10 — — WO claimed
EP-1679966-A4 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 — — EP disclosed
EP-1679966-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 — — EP disclosed
WO-2005012242-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2005-02-10 — — WO disclosed
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