SCHEMBL7329392

SCHEMBL7329392

C[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CC[N+](C)([O-])CC1)c1cscn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.38
TSHR P16473 1/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
GPR142 Q7Z601 2/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PSMB5 P28074 1/20 0.32
CA1 P00915 1/20 0.31
PLG P00747 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
SCHEMBL7338969 0.89 REN (0.39) RENGPR142PLG
SCHEMBL7331364 0.88 REN (0.48) RENPSMB5
SCHEMBL7333921 0.88 REN (0.41) RENTSHRCA12CA9GPR142
SCHEMBL7337448 0.86 REN (0.39) RENTSHR
SCHEMBL7339274 0.86 TSHR (0.34) RENTSHRCA12CA9CA2
SCHEMBL7339560 0.85 REN (0.36) REN
SCHEMBL7341341 0.84 ALDH1A1 (0.36) RENTSHR
SCHEMBL7333972 0.84 TSHR (0.35) RENTSHRPLG
SCHEMBL7330902 0.84 REN (0.36) RENTSHRGPR142PSMB5
SCHEMBL7338971 0.78 TSHR (0.34) RENTSHRCA12CA9CA2

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