SCHEMBL7331302

SCHEMBL7331302

CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCNC(=O)C1)c1csc(N)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.33
RORC P51449 1/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
GFER P55789 1/20 0.31
CTSS P25774 1/20 0.31
FFAR2 O15552 3/20 0.31
KMT2A Q03164 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
SCHEMBL7333146 0.90 KMT2A (0.40) RENCTSSFFAR2KMT2A
SCHEMBL7331049 0.88 REN (0.35) RENRORCALOX5APFEN1GFER
SCHEMBL7334862 0.86 RORC (0.33) RORCALOX5APFEN1GFERCTSS
SCHEMBL7332856 0.86 REN (0.38) RENCTSSFFAR2KMT2A
SCHEMBL7336480 0.85 REN (0.38) RENKMT2A
SCHEMBL7339920 0.85 REN (0.36) RENRORCALOX5APFEN1GFER
SCHEMBL7332394 0.84 RORC (0.32) RENRORCALOX5APFEN1GFER
SCHEMBL7331624 0.83 FFAR2 (0.32) RENCTSSFFAR2
SCHEMBL7330654 0.83 REN (0.38) RENCTSSFFAR2KMT2A
SCHEMBL7378656 0.80 REN (0.38) RENCTSSFFAR2KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456185-B1 Renin inhibitors ABBOTT LAB (US) 1995-05-31 EP disclosed
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