SCHEMBL7329310

SCHEMBL7329310

C[C@H](Nc1csc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)n1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.48
▸ CTSD P07339 2/20 0.45
▸ CTSE P14091 2/20 0.45
▸ PGA5 P0DJD9 1/20 0.43
▸ PGC P20142 1/20 0.43

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
SCHEMBL7329922 0.91 ALDH1A1 (0.40) RENCTSDCTSE
SCHEMBL7333169 0.90 REN (0.48) RENCTSDCTSE
SCHEMBL7332589 0.88 REN (0.39) RENCTSDCTSE
SCHEMBL7337353 0.88 REN (0.38) RENCTSDCTSE
SCHEMBL7336873 0.85 REN (0.40) REN
SCHEMBL7335450 0.81 REN (0.58) RENCTSDCTSE
SCHEMBL7331287 0.77 REN (0.63) RENCTSDCTSEPGA5PGC
SCHEMBL9680246 0.74 REN (0.51) RENCTSDCTSEPGA5PGC
SCHEMBL8955003 0.73 REN (0.66) RENCTSDCTSE
SCHEMBL7340387 0.73 REN (0.53) RENCTSDCTSEPGA5PGC

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
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