SCHEMBL7388396

SCHEMBL7388396

CC(C)CC[C@H](O)[C@H](CC1CCCCC1)N(CC(=O)N(C)C)C(=O)[C@@H](CC(=O)N[C@@H](C)c1ccccc1)Cc1nccs1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.39
▸ GPR88 Q9GZN0 1/20 0.37
▸ PSEN1 P49768 3/20 0.36
▸ PSEN2 P49810 3/20 0.36
▸ APH1B Q8WW43 3/20 0.36
▸ NCSTN Q92542 3/20 0.36
▸ APH1A Q96BI3 3/20 0.36
▸ PSENEN Q9NZ42 3/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ BMP1 P13497 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CTSD P07339 1/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ OPRK1 P41145 2/20 0.34

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
SCHEMBL7386196 0.91 REN (0.45) RENGPR88CTSD
SCHEMBL7389539 0.88 REN (0.44) REN
SCHEMBL7391251 0.82 REN (0.43) RENGPR88MEN1KMT2ACTSD
SCHEMBL7385976 0.82 REN (0.49) REN
SCHEMBL7392115 0.81 REN (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7392118 0.81 REN (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7394199 0.81 REN (0.45) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7390473 0.80 REN (0.52) REN
SCHEMBL7394314 0.79 PSEN1 (0.40) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7389599 0.79 PSEN1 (0.40) RENPSEN1PSEN2APH1BNCSTN

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-0589445-B1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1997-01-15 — — EP disclosed
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