SCHEMBL7339533

SCHEMBL7339533

CSCC[C@H](NC(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCOCC1)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
MME P08473 1/20 0.45
ANPEP P15144 1/20 0.45
REN P00797 1/20 0.45
FNTA P49354 6/20 0.45
FNTB P49356 6/20 0.45
PGGT1B P53609 6/20 0.45
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL7338166 0.90 LTA4H (0.49) LTA4HMMEANPEPRENFNTA
SCHEMBL7329495 0.89 LTA4H (0.48) LTA4HMMEANPEPFNTAFNTB
SCHEMBL7339309 0.87 LTA4H (0.46) LTA4HMMEANPEPFNTAFNTB
SCHEMBL7333546 0.87 LTA4H (0.46) LTA4HMMEANPEPRENFNTA
SCHEMBL7330912 0.86 REN (0.54) MMEREN
SCHEMBL7340387 0.84 REN (0.53) REN
SCHEMBL7329619 0.84 LTA4H (0.45) LTA4HMMEANPEPFNTAFNTB
SCHEMBL7447698 0.77 FNTA (0.62) LTA4HMMEFNTAFNTBPGGT1B
SCHEMBL7327334 0.77 FNTA (0.62) LTA4HMMEFNTAFNTBPGGT1B
SCHEMBL7329490 0.76 REN (0.54) MMEREN

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332742-A Ocular hypotensive ABBOTT LABORATORIES (US) 1994-07-26 US disclosed
US-5310740-A Congestive heart failure, hypotensive agents, antiglaucoma agents; side effect reduction ABBOTT LABORATORIES (US) 1994-05-10 US disclosed
US-5284849-A Treating hypertension and congestive heart failure ABBOTT LABORATORIES (US) 1994-02-08 US disclosed
EP-0456185-A2 Renin inhibitors ABBOTT LABORATORIES (US) 1991-11-13 EP disclosed