SCHEMBL7329117

SCHEMBL7329117

CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CC[N+](C)([O-])CC1)n1ccnc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.34
HRH4 Q9H3N8 1/20 0.32
CYP24A1 Q07973 1/20 0.31
REN P00797 1/20 0.30

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
SCHEMBL7335353 0.88 REN (0.38) CTSSHRH4CYP24A1REN
SCHEMBL7332722 0.87 LMNA (0.38) CTSSREN
SCHEMBL7332084 0.87 KMT2A (0.43) CTSSHRH4CYP24A1REN
SCHEMBL7338677 0.87 CTSS (0.34) CTSSREN
SCHEMBL7338971 0.85 TSHR (0.34) CTSSREN
SCHEMBL7337426 0.85 REN (0.38) CTSSHRH4CYP24A1REN
SCHEMBL9437442 0.83 CTSS (0.36) CTSSHRH4CYP24A1REN
SCHEMBL7335130 0.83 RORC (0.34) CTSSHRH4CYP24A1
SCHEMBL7333699 0.80 REN (0.38) CTSSREN
SCHEMBL7328094 0.80 CTSS (0.32) CTSSREN

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