SCHEMBL8566334

SCHEMBL8566334

CC(C)CCN(CC(O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)C(C)(C)C(N)=O)C(=O)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.38
PSEN2 P49810 11/20 0.38
APH1B Q8WW43 11/20 0.38
NCSTN Q92542 11/20 0.38
APH1A Q96BI3 11/20 0.38
PSENEN Q9NZ42 11/20 0.38
TXNRD1 Q16881 1/20 0.35
BACE1 P56817 2/20 0.34
CCR1 P32246 1/20 0.33
CYP3A4 P08684 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL8564599 0.91 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8569492 0.88 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5401511 0.84 CYP3A4 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8569519 0.83 BACE1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8568827 0.83 TXNRD1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8564050 0.82 CCR1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8568989 0.79 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5401492 0.79 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7362254 0.78 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329015 0.78 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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-0558630-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1998-04-08 EP claimed