SCHEMBL7269098

SCHEMBL7269098

CCOP(=O)(OCC)N(c1ccc(OC)cc1)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
REN P00797 11/20 0.39
PSMB5 P28074 1/20 0.38
ADAM17 P78536 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL7269096 0.82 REN (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9555781 0.80 REN (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7298899 0.78 REN (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7277253 0.76 REN (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7306146 0.73 REN (0.35) RENCTSLCTSS
SCHEMBL7269499 0.73 REN (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7269492 0.73 REN (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7268380 0.72 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7268385 0.72 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7321258 0.72 PSEN1 (0.46) 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
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed