SCHEMBL7392115

SCHEMBL7392115

CC(C)CCC(O)C(CC1CCCCC1)NC(=O)C(CC(=O)N(CC(=O)N(C)C)C(C)c1ccccc1)Cc1nccs1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.46
▸ PSEN1 P49768 1/20 0.45
▸ PSEN2 P49810 1/20 0.45
▸ APH1B Q8WW43 1/20 0.45
▸ NCSTN Q92542 1/20 0.45
▸ APH1A Q96BI3 1/20 0.45
▸ PSENEN Q9NZ42 1/20 0.45
▸ CTSD P07339 1/20 0.42

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
SCHEMBL7392118 1.00 REN (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7391802 0.92 REN (0.56) RENCTSD
SCHEMBL7391281 0.87 REN (0.55) REN
SCHEMBL7391284 0.87 REN (0.55) REN
SCHEMBL7389780 0.82 REN (0.55) RENCTSD
SCHEMBL7388396 0.81 REN (0.39) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7390692 0.81 REN (0.60) REN
SCHEMBL7390690 0.81 REN (0.60) REN
SCHEMBL7383123 0.80 REN (0.58) RENCTSD
SCHEMBL7392022 0.79 REN (0.66) REN

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
WO-1994007846-A1 RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 — — WO disclosed
EP-0589445-A1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 — — EP disclosed
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