SCHEMBL8606263

SCHEMBL8606263

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.35
REN P00797 1/20 0.34
CCR1 P32246 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 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
SCHEMBL8840299 0.82 BACE1 (0.40) BACE1RENALDH1A1NPC1RAB9A
SCHEMBL7360719 0.82 BACE1 (0.36) BACE1RENNPC1RAB9AMAPT
SCHEMBL5689224 0.81 PSEN1 (0.40) BACE1REN
SCHEMBL7399391 0.81 PSEN1 (0.40) BACE1REN
SCHEMBL8899924 0.79 BACE1 (0.36) BACE1RENNPC1RAB9AMAPT
SCHEMBL7353583 0.78 BACE1 (0.37) BACE1REN
SCHEMBL8897548 0.77 BACE1 (0.33) BACE1RENALDH1A1
SCHEMBL7360716 0.77 BACE1 (0.36) BACE1RENCCR1NPC1RAB9A
SCHEMBL7476233 0.76 SPPL2A (0.38) BACE1CCR1
SCHEMBL6430008 0.75 LAP3 (0.49) RENNPC1RAB9AMAPT

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-5750648-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1998-05-12 US disclosed