SCHEMBL8123073

SCHEMBL8123073

N=C(N)NCCC[C@H](C(N)=O)N(Cc1cc(Cl)c(N)c(Cl)c1)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 18/20 0.38
▸ PSEN2 P49810 18/20 0.38
▸ APH1B Q8WW43 18/20 0.38
▸ NCSTN Q92542 18/20 0.38
▸ APH1A Q96BI3 18/20 0.38
▸ PSENEN Q9NZ42 18/20 0.38
▸ BMP1 P13497 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
Hydrochloric Acid SCHEMBL8126031 0.91 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8112073 0.84 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9196942 0.82 NPY4R (0.33) —
SCHEMBL1388296 0.76 TACR1 (0.39) —
Hydrochloric Acid SCHEMBL8111831 0.75 TRPM8 (0.36) —
SCHEMBL1388418 0.75 TMEM97 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4650701 0.75 CNR1 (0.35) —
Hydrochloric Acid SCHEMBL8126105 0.74 TMEM97 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7751927 0.72 F7 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8123651 0.72 CNR1 (0.33) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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