SCHEMBL7436327

SCHEMBL7436327

CCCC(=O)C(O)[C@H](CC1CCCCC1)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.42
BCHE P06276 1/20 0.41
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
METAP2 P50579 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR1 P32246 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRM1 Q13255 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
SCHEMBL7423576 0.84 REN (0.42) RENBCHEPSEN1PSEN2APH1B
SCHEMBL7436333 0.81 REN (0.46) RENBCHEPSEN1PSEN2APH1B
SCHEMBL7441467 0.80 BCHE (0.41) RENBCHEPSEN1PSEN2APH1B
SCHEMBL7440602 0.79 REN (0.39) RENBCHEPSEN1PSEN2APH1B
SCHEMBL7429694 0.78 REN (0.38) RENBCHEPSEN1PSEN2APH1B
SCHEMBL7281059 0.76 REN (0.66) RENBCHE
SCHEMBL7424258 0.74 CCR1 (0.40) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL13707910 0.72 CTSK (0.44)
SCHEMBL18435239 0.72 CTSK (0.44)
SCHEMBL13707911 0.72 CTSK (0.44)

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-0296581-A2 Amino acid 1,2-diketo derivatives as renin inhibitors E.R. SQUIBB & SONS, INC. (US) 1988-12-28 EP disclosed