SCHEMBL6073318

SCHEMBL6073318

CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(OC(F)F)c(OC(F)F)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 13/20 0.48
▸ PDE4D Q08499 13/20 0.48
▸ PDE4A P27815 11/20 0.48
▸ PDE4C Q08493 11/20 0.48
▸ MAPK14 Q16539 1/20 0.44
▸ ACACB O00763 2/20 0.44
▸ ACACA Q13085 2/20 0.44
▸ ABCB11 O95342 1/20 0.43

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
SCHEMBL6640329 0.82 CACNA1H (0.52) MAPK14ACACBACACA
SCHEMBL6640331 0.82 CACNA1H (0.52) MAPK14ACACBACACA
SCHEMBL6637597 0.80 KDM4E (0.58) MAPK14ACACBACACA
SCHEMBL6637593 0.80 KDM4E (0.58) MAPK14ACACBACACA
SCHEMBL6642459 0.80 KDM4E (0.58) MAPK14ACACBACACA
SCHEMBL6640560 0.79 TDP1 (0.58) MAPK14ACACBACACA
SCHEMBL6640567 0.79 TDP1 (0.58) MAPK14ACACBACACA
SCHEMBL6638918 0.78 ACACB (0.55) MAPK14ACACBACACA
SCHEMBL6638926 0.78 ACACB (0.55) MAPK14ACACBACACA
SCHEMBL6458829 0.77 ACACB (0.47) MAPK14ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006011035-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2006-02-02 — — WO disclosed
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