SCHEMBL7333699

SCHEMBL7333699

CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CC[N+](C)([O-])CC1)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.38
CTSS P25774 1/20 0.35
F10 P00742 5/20 0.34
OPRL1 P41146 1/20 0.33
F2 P00734 3/20 0.32
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
PRSS1 P07477 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7330956 0.89 REN (0.46) RENCTSSF10OPRL1F2
SCHEMBL7337422 0.88 REN (0.40) RENCTSSF10OPRL1F2
SCHEMBL7338907 0.88 KMT2A (0.41) RENCTSSF10OPRL1F2
SCHEMBL7330659 0.86 REN (0.46) RENCTSSF10OPRL1F2
SCHEMBL7341341 0.85 ALDH1A1 (0.36) RENF10ALDH1A1
SCHEMBL7328094 0.84 CTSS (0.32) RENCTSS
SCHEMBL7339560 0.84 REN (0.36) RENCTSS
SCHEMBL7339920 0.83 REN (0.36) RENCTSSF10OPRL1F2
SCHEMBL7331624 0.83 FFAR2 (0.32) RENCTSS
SCHEMBL7338647 0.82 CTSS (0.33) CTSSKMT2A

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