SCHEMBL8670414

SCHEMBL8670414

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.34
MME P08473 5/20 0.34
CPA1 P15085 4/20 0.34
ACE2 Q9BYF1 4/20 0.34
PSEN1 P49768 4/20 0.32
PSEN2 P49810 4/20 0.32
APH1B Q8WW43 4/20 0.32
NCSTN Q92542 4/20 0.32
APH1A Q96BI3 4/20 0.32
PSENEN Q9NZ42 4/20 0.32
FOLH1 Q04609 1/20 0.32
CTSD P07339 3/20 0.32
REN P00797 2/20 0.32
TRPA1 O75762 1/20 0.32
CTSB P07858 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5871974 0.78 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5871880 0.78 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6225204 0.75 LAP3 (0.48) ACEMMEPSEN1PSEN2APH1B
SCHEMBL5872214 0.75 LAP3 (0.48) ACEMMEPSEN1PSEN2APH1B
SCHEMBL7454879 0.74 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8665816 0.73 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8664644 0.72 CTSD (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8568989 0.71 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7402232 0.71 CTSD (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7394330 0.71 CTSD (0.49) 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
US-5750648-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1998-05-12 US disclosed