SCHEMBL4416370

SCHEMBL4416370

OC[C@@H]1O[C@@H](O)[C@](O)(Oc2cccc3nnn(CCc4ccc5c(c4)CCO5)c23)[C@H](O)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 11/20 0.54
▸ SLC5A1 P13866 6/20 0.54
▸ CHRM5 P08912 6/20 0.34
▸ CHRM1 P11229 6/20 0.34
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ KCNE1 P15382 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33

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
SCHEMBL3410769 1.00 SLC5A2 (0.54) SLC5A2SLC5A1CHRM5CHRM1CHRM2
SCHEMBL3410768 1.00 SLC5A2 (0.54) SLC5A2SLC5A1CHRM5CHRM1CHRM2
SCHEMBL3412686 1.00 SLC5A2 (0.54) SLC5A2SLC5A1CHRM5CHRM1CHRM2
SCHEMBL3410755 0.90 SLC5A2 (0.49) SLC5A2SLC5A1CHRM5CHRM1CHRM2
SCHEMBL3409072 0.90 SLC5A2 (0.49) SLC5A2SLC5A1CHRM5CHRM1CHRM2
SCHEMBL4417878 0.90 SLC5A2 (0.49) SLC5A2SLC5A1CHRM5CHRM1CHRM2
SCHEMBL3409074 0.90 SLC5A2 (0.49) SLC5A2SLC5A1CHRM5CHRM1CHRM2
SCHEMBL3428667 0.86 SLC5A2 (0.73) SLC5A2SLC5A1CHRM5CHRM1CHRM2
SCHEMBL3428665 0.86 SLC5A2 (0.73) SLC5A2SLC5A1CHRM5CHRM1CHRM2
SCHEMBL13122853 0.84 SLC5A2 (0.75) SLC5A2SLC5A1

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 3 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 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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