SCHEMBL7338835

SCHEMBL7338835

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNC(=O)C1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.46
OPRD1 P41143 2/20 0.45
FCER2 P06734 3/20 0.44
MMP1 P03956 3/20 0.44
EED O75530 1/20 0.42
CTSD P07339 1/20 0.42
PGA5 P0DJD9 1/20 0.42
CTSE P14091 1/20 0.42
PGC P20142 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
SCHEMBL7331751 0.88 REN (0.54) RENFCER2MMP1EEDCTSD
SCHEMBL7338208 0.87
SCHEMBL7334299 0.85 MME (0.47) RENOPRD1FCER2MMP1
SCHEMBL9437652 0.83 REN (0.40) RENFCER2MMP1
SCHEMBL7336138 0.83 REN (0.51) RENFCER2MMP1CTSDPGA5
SCHEMBL7331287 0.82 REN (0.63) RENCTSDPGA5CTSEPGC
SCHEMBL7338182 0.80 REN (0.51) RENFCER2MMP1CTSDPGA5
SCHEMBL7333230 0.80 REN (0.49) RENOPRD1FCER2MMP1CTSD
SCHEMBL7336873 0.78 REN (0.40) RENMMP1
SCHEMBL7332535 0.76 F2 (0.35) REN

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