Sugi Predict

Sugi Predict / Compounds / SCHEMBL7584039

SCHEMBL7584039

SCHEMBL7584039

C#CC1(c2ccc([C@@H]3C(=O)N(C)C(=N)N[C@]3(C)c3ccc(F)cc3F)cc2)CCC1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ BACE1 P56817 1/20 0.30
▸ BACE2 Q9Y5Z0 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
SCHEMBL7576425 0.91 ADRA1A (0.37) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13054264 0.91 ADRA1A (0.37) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13055245 0.87 ADRA1A (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7570231 0.87 ADRA1A (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13081730 0.86 BACE1 (0.33) BACE1BACE2
SCHEMBL13081729 0.86 BACE1 (0.33) BACE1BACE2
SCHEMBL13081311 0.84 BACE1 (0.34) BACE1BACE2
SCHEMBL7583575 0.82 ADRA1D (0.32) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7570124 0.82 AKR1A1 (0.39) BACE1BACE2
SCHEMBL13054067 0.82 AKR1A1 (0.39) BACE1BACE2

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