SCHEMBL6565862

SCHEMBL6565862

COc1cc2c(cc1OC)CN(c1c(C)c(C)c3c(c1C)[C@@H](c1cccc(C(C)C)c1)C(C)(C)O3)C2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
HDAC4 P56524 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ACHE P22303 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL1268230 0.90 AKT1 (0.31)
SCHEMBL2904367 0.90 AKT1 (0.31)
SCHEMBL29487577 0.90 AKT1 (0.31)
SCHEMBL2778461 0.87 KMT2A (0.36) DPP4ACHE
SCHEMBL6565871 0.84 ABCC1 (0.33) DPP4ACHE
SCHEMBL2905278 0.83 TLR4 (0.35) DPP4ACHE
SCHEMBL1269359 0.83 TLR4 (0.35) DPP4ACHE
SCHEMBL29567882 0.83 TLR4 (0.35) DPP4ACHE
Bromide SCHEMBL2910934 0.82 TLR4 (0.34) DPP4
Hydrochloric Acid SCHEMBL2912744 0.82 TLR4 (0.34) DPP4

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
EP-1457207-A1 SOLID COMPOSITIONS CONTAINNG COMPOUNDS UNSTABLE TO OXYGEN AND METHOD FOR STABILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed