SCHEMBL8664644

SCHEMBL8664644

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSD P07339 8/20 0.48
REN P00797 2/20 0.48
PSEN1 P49768 7/20 0.44
PSEN2 P49810 7/20 0.44
APH1B Q8WW43 7/20 0.44
NCSTN Q92542 7/20 0.44
APH1A Q96BI3 7/20 0.44
PSENEN Q9NZ42 7/20 0.44

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
SCHEMBL7394330 0.92 CTSD (0.49) CTSDRENPSEN1PSEN2APH1B
SCHEMBL7403620 0.91 CTSD (0.47) CTSDRENPSEN1PSEN2APH1B
SCHEMBL7396675 0.91 CTSD (0.47) CTSDRENPSEN1PSEN2APH1B
SCHEMBL7402232 0.88 CTSD (0.46) CTSDRENPSEN1PSEN2APH1B
SCHEMBL8605875 0.88 PSEN1 (0.56) CTSDRENPSEN1PSEN2APH1B
SCHEMBL7400099 0.86 REN (0.49) CTSDRENPSEN1PSEN2APH1B
SCHEMBL7454879 0.85 PSEN1 (0.43) CTSDRENPSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL8665816 0.84 PSEN1 (0.42) CTSDRENPSEN1PSEN2APH1B
SCHEMBL8568989 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7402349 0.83 PSEN1 (0.48) CTSDPSEN1PSEN2APH1BNCSTN

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