Sugi Predict

Sugi Predict / Compounds / SCHEMBL7874419

SCHEMBL7874419

SCHEMBL7874419

CCC#CCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(N(C)S(=O)(=O)C(C)C)c1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.70
▸ BACE2 Q9Y5Z0 1/20 0.48

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
SCHEMBL7869235 0.93 BACE1 (0.69) BACE1BACE2
SCHEMBL7872232 0.93 BACE1 (0.72) BACE1BACE2
SCHEMBL7875919 0.91 BACE1 (0.67) BACE1BACE2
SCHEMBL7874780 0.90 BACE1 (0.69) BACE1BACE2
SCHEMBL7874422 0.89 BACE1 (0.66) BACE1BACE2
SCHEMBL7877968 0.89 BACE1 (0.67) BACE1BACE2
SCHEMBL7880655 0.87 BACE1 (0.62) BACE1BACE2
SCHEMBL7874435 0.85 BACE1 (0.57) BACE1BACE2
SCHEMBL13817993 0.85 BACE1 (0.85) BACE1
SCHEMBL7878375 0.84 BACE1 (0.66) 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
WO-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 — — WO disclosed