SCHEMBL4307798

SCHEMBL4307798

CC(C)(O)[C@@H]1C[C@@](C)(c2ccc(F)c(Br)c2)SC(NC(=O)O)=N1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.34
CCR2 P41597 1/20 0.33
ABCC9 O60706 2/20 0.32
ABCC8 Q09428 2/20 0.32
KCNJ11 Q14654 2/20 0.32
KCNJ8 Q15842 2/20 0.32
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL1420814 0.88 BACE1 (0.35) SLC9A1
SCHEMBL4309373 0.83 ABL1 (0.36) CCR2
SCHEMBL1421023 0.78 BACE1 (0.38) SLC9A1CCR2
SCHEMBL3179429 0.78 BACE1 (0.33)
SCHEMBL1421247 0.77 RAB9A (0.36) CCR2
SCHEMBL4310210 0.75 BACE1 (0.38) CCR2
SCHEMBL1424309 0.73 ABL1 (0.36)
SCHEMBL1420855 0.71 HCRTR1 (0.36)
SCHEMBL4314819 0.71 AKR1B1 (0.35)
SCHEMBL4313717 0.71 BACE1 (0.36) CCR2

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-2009134617-A1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2009-11-05 WO disclosed