SCHEMBL9014810

SCHEMBL9014810

CCCCNS(=O)(=O)C[C@@H](O)C(O)[C@@H](CC1CCCCC1)N[C@@H](CC(C)C)C(=O)NC(=O)CCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.81
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

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
SCHEMBL7281276 0.90 REN (1.00) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9014804 0.90 REN (1.00) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7280464 0.88 REN (0.80) REN
SCHEMBL9014876 0.86 REN (0.64) REN
SCHEMBL9632624 0.86 REN (0.64) REN
SCHEMBL9014890 0.86 REN (0.64) REN
SCHEMBL7280113 0.86 REN (0.64) REN
SCHEMBL7278484 0.85 REN (0.81) REN
SCHEMBL7272808 0.82 REN (0.58) REN
SCHEMBL9014850 0.82 REN (0.58) 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
US-5545838-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-08-13 US disclosed
US-5098924-A Hypotensive agents and angiotensin II inhibitors E. R. SQUIBB & SONS, INC. (US) 1992-03-24 US disclosed