SCHEMBL7716381

SCHEMBL7716381

C=C/C=C(\C)COC(=O)N1CC[C@@]2(C[C@@H]1C)C(OC)=CS(=O)(=O)N2c1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.35
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31

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
SCHEMBL7715363 0.89 BACE1 (0.37) BACE1
SCHEMBL15024588 0.84 BACE1 (0.42) BACE1
SCHEMBL2557967 0.84 BACE1 (0.42) BACE1
SCHEMBL15011176 0.82 BACE1 (0.40) BACE1
SCHEMBL14686415 0.82 BACE1 (0.40) BACE1
SCHEMBL2552556 0.74 BACE1 (0.43) BACE1
SCHEMBL7713454 0.74 BACE1 (0.43) BACE1
SCHEMBL15024592 0.72 BACE1 (0.41) BACE1
SCHEMBL2552607 0.72 BACE1 (0.41) BACE1
SCHEMBL15010531 0.72 BACE1 (0.42) BACE1

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-2011125006-A2 NOVEL SULTAM COMPOUNDS PFIZER INC. (US) 2011-10-13 WO disclosed