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Sugi Predict / Compounds / SCHEMBL22981562

SCHEMBL22981562

SCHEMBL22981562

C#Cc1cccc(CN(C(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)[C@H]2CCCC[C@@H]2O)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.49
▸ LGALS1 P09382 3/20 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
SCHEMBL29448613 1.00 LGALS3 (0.49) LGALS3LGALS1
SCHEMBL28742189 0.91 LGALS3 (0.57) LGALS3LGALS1
SCHEMBL28940838 0.90 LGALS3 (0.59) LGALS3
SCHEMBL29448630 0.90 LGALS3 (0.59) LGALS3
SCHEMBL28742217 0.87 LGALS3 (0.58) LGALS3
SCHEMBL22982621 0.85 LGALS3 (0.59) LGALS3LGALS1
SCHEMBL28742264 0.85 LGALS3 (0.59) LGALS3LGALS1
SCHEMBL28742199 0.85 LGALS3 (0.54) LGALS3LGALS1
SCHEMBL22982162 0.84 LGALS3 (0.51) LGALS3LGALS1
SCHEMBL28742229 0.84 LGALS3 (0.52) LGALS3LGALS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013751-A1 2-HYDROXYCYCLOALKANE-1-CARBAMOYL DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2022-06-22 — — EP claimed
CN-114269737-A 2-hydroxycycloalkane-1-carbamoyl derivatives 爱杜西亚药品有限公司 2022-04-01 — — CN claimed
WO-2021028570-A1 2-HYDROXYCYCLOALKANE-1-CARBAMOYL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-02-18 — — WO claimed
CN-114269737-A 2-hydroxycycloalkane-1-carbamoyl derivatives 爱杜西亚药品有限公司 2022-04-01 — — CN disclosed
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