SCHEMBL7454879

SCHEMBL7454879

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 16/20 0.43
PSEN2 P49810 16/20 0.43
APH1B Q8WW43 16/20 0.43
NCSTN Q92542 16/20 0.43
APH1A Q96BI3 16/20 0.43
PSENEN Q9NZ42 16/20 0.43
REN P00797 2/20 0.40
CTSD P07339 2/20 0.40

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
Hydrochloric Acid SCHEMBL8665816 0.99 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8568989 0.88 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329015 0.86 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7402232 0.85 CTSD (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8664644 0.85 CTSD (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7394330 0.85 CTSD (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5401492 0.85 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7396675 0.85 CTSD (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7403620 0.85 CTSD (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8605875 0.85 PSEN1 (0.56) 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 2 patents. 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
WO-1995006061-A1 RETROVIRAL PROTEASE INHIBITORS AND COMBINATIONS THEREOF G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed