SCHEMBL7582473

SCHEMBL7582473

C=C1[C@@H](c2ccc(C#N)c(C)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 0.32

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
SCHEMBL7584731 0.90 BACE1 (0.31) BACE1
SCHEMBL7582435 0.89 BACE1 (0.34) BACE1
SCHEMBL8202597 0.88 BACE1 (0.36) BACE1
SCHEMBL13055205 0.88 BACE1 (0.36) BACE1
SCHEMBL7577005 0.88 BACE1 (0.36) BACE1
SCHEMBL7584411 0.84 KMT2A (0.32) BACE1
SCHEMBL7584231 0.83 ELANE (0.33) BACE1
SCHEMBL7584371 0.83 BACE1 (0.31) BACE1
SCHEMBL7581043 0.83 BACE1 (0.31) BACE1
SCHEMBL7589796 0.83 ALDH1A1 (0.32) 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