SCHEMBL7330902

SCHEMBL7330902

C[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNC(=O)C1)c1cscn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.36
F2 P00734 3/20 0.33
TSHR P16473 1/20 0.33
RORC P51449 1/20 0.32
GPR142 Q7Z601 5/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
GFER P55789 1/20 0.32
PSMB5 P28074 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7333921 0.91 REN (0.41) RENF2TSHRGPR142PSMB5
SCHEMBL7338102 0.88 F2 (0.34) RENF2TSHRRORCALOX5AP
SCHEMBL7338969 0.86 REN (0.39) RENGPR142
SCHEMBL7332191 0.86 REN (0.35) RENF2TSHR
SCHEMBL7331364 0.86 REN (0.48) RENPSMB5MEN1KMT2A
SCHEMBL7330043 0.85 F2 (0.37) RENF2TSHRRORCGPR142
SCHEMBL7331049 0.85 REN (0.35) RENRORCALOX5APFEN1GFER
SCHEMBL7337448 0.84 REN (0.39) RENTSHR
SCHEMBL7329392 0.84 REN (0.38) RENTSHRGPR142PSMB5
SCHEMBL7332535 0.80 F2 (0.35) RENF2TSHRRORCALOX5AP

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