SCHEMBL7403106

SCHEMBL7403106

CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN(C(=O)[C@@H](C)N(C)C(=O)OCc1ccccc1)C(C)(C)C)C(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.41
PSEN2 P49810 11/20 0.41
APH1B Q8WW43 11/20 0.41
NCSTN Q92542 11/20 0.41
APH1A Q96BI3 11/20 0.41
PSENEN Q9NZ42 11/20 0.41
ABCB1 P08183 1/20 0.39
SPPL2A Q8TCT8 1/20 0.38
CTSB P07858 1/20 0.38
BACE1 P56817 2/20 0.37
KLK5 Q9Y337 1/20 0.35

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
SCHEMBL7399393 1.00 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7406041 0.84 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7403995 0.84 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7402855 0.84 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7400659 0.82 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7405000 0.81 REN (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6431945 0.81 CTSB (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6431948 0.81 CTSB (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7399391 0.81 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5689224 0.81 PSEN1 (0.40) 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 claimed
WO-1995006061-A1 RETROVIRAL PROTEASE INHIBITORS AND COMBINATIONS THEREOF G.D. SEARLE & CO. (US) 1995-03-02 WO claimed