SCHEMBL7400784

SCHEMBL7400784

CC(CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)NC(=N)N)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.61
KLK5 Q9Y337 1/20 0.56

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
SCHEMBL7402507 1.00 BACE1 (0.61) BACE1KLK5
SCHEMBL7400852 0.92 PSEN1 (0.64) BACE1KLK5
SCHEMBL7394560 0.92 PSEN1 (0.64) BACE1KLK5
SCHEMBL7403391 0.92 PSEN1 (0.64) BACE1KLK5
SCHEMBL7402521 0.89 PSEN1 (0.56) BACE1KLK5
SCHEMBL7399652 0.89 PSEN1 (0.56) BACE1KLK5
SCHEMBL7400322 0.89 PSEN1 (0.56) BACE1KLK5
SCHEMBL7398181 0.88 BACE1 (0.65) BACE1KLK5
SCHEMBL7395668 0.86 KLK5 (0.75) BACE1KLK5
SCHEMBL7294584 0.81 PSEN1 (0.71) BACE1KLK5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993009132-A1 HIV PROTEASE INHIBITORS CONTAINING GUANIDINE SMITHKLINE BEECHAM CORPORATION (US) 1993-05-13 WO claimed
WO-1993009132-A1 HIV PROTEASE INHIBITORS CONTAINING GUANIDINE SMITHKLINE BEECHAM CORPORATION (US) 1993-05-13 WO disclosed