SCHEMBL14101920

SCHEMBL14101920

C=Cc1cc(OC)cc(-c2nn(-c3cc(N4CCC(F)(F)C4)ccc3C(F)(F)F)c(=O)c3[nH]ccc23)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 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
SCHEMBL4719947 0.93 BACE1 (0.33) BACE1
SCHEMBL4724251 0.85 KHK (0.36)
SCHEMBL4722822 0.82 F2 (0.37)
SCHEMBL4718873 0.79 P2RX7 (0.35)
SCHEMBL4718877 0.79 P2RX7 (0.35)
SCHEMBL4722660 0.77 PDE4A (0.37)
SCHEMBL4719604 0.77 F10 (0.33)
SCHEMBL14101912 0.76 CYP11B1 (0.37)
SCHEMBL4719827 0.74 BRD4 (0.40)
SCHEMBL4723310 0.74 ITGB2 (0.40)

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed