SCHEMBL7584731

SCHEMBL7584731

C=C1[C@@H](c2ccc(C#N)c(F)c2)[C@@](C)(c2cccc(C#N)c2)NC(=N)N1C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 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
SCHEMBL7582473 0.90 BACE1 (0.32) BACE1
SCHEMBL13054464 0.89 BACE1 (0.35) BACE1
SCHEMBL7558336 0.89 BACE1 (0.35) BACE1
SCHEMBL7582630 0.88 KDM1A (0.31) BACE1
SCHEMBL7582435 0.87 BACE1 (0.34) BACE1
SCHEMBL7584231 0.84 ELANE (0.33) BACE1
SCHEMBL7581190 0.83 BACE1 (0.31) BACE1
SCHEMBL7584411 0.83 KMT2A (0.32) BACE1
SCHEMBL7584371 0.82 BACE1 (0.31) BACE1
SCHEMBL7589838 0.81 BACE1 (0.36) 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
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed