SCHEMBL7332191

SCHEMBL7332191

C[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNC(=O)C1)c1nccs1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.35
F10 P00742 11/20 0.34
F2 P00734 10/20 0.34
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
PRSS1 P07477 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
TSHR P16473 1/20 0.33
HSPA1A P0DMV8 1/20 0.33
HSPA5 P11021 1/20 0.33
HSPA9 P38646 1/20 0.33
HSPA2 P54652 1/20 0.33
CMA1 P23946 2/20 0.32
HPGDS O60760 1/20 0.32

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
SCHEMBL7332487 0.91 REN (0.42) RENF10F2PLGPLAT
SCHEMBL7336887 0.87 REN (0.38) RENF10F2PLGPLAT
SCHEMBL7330902 0.86 REN (0.36) RENF2TSHR
SCHEMBL7339328 0.86 REN (0.43) REN
SCHEMBL7330043 0.85 F2 (0.37) RENF2PLGTSHR
SCHEMBL7339920 0.85 REN (0.36) RENF10F2PLGPLAT
SCHEMBL7338102 0.84 F2 (0.34) RENF2PLGTSHR
SCHEMBL7333037 0.84 REN (0.38) RENF10ALDH1A1TSHRHSPA1A
SCHEMBL7341341 0.84 ALDH1A1 (0.36) RENF10ALDH1A1TSHRHSPA1A
SCHEMBL7332535 0.80 F2 (0.35) RENF2ALDH1A1TSHR

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