SCHEMBL7338907

SCHEMBL7338907

CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCNCC1)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
REN P00797 4/20 0.39
CTSS P25774 1/20 0.36
OPRL1 P41146 1/20 0.36
F10 P00742 6/20 0.35
F2 P00734 4/20 0.33
SLC6A4 P31645 3/20 0.33
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32
PRSS1 P07477 1/20 0.32
MEN1 O00255 1/20 0.32
SLC6A2 P23975 2/20 0.31
LTA4H P09960 1/20 0.31
PKM P14618 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
SCHEMBL7330956 0.92 REN (0.46) KMT2ARENCTSSOPRL1F10
SCHEMBL7339920 0.90 REN (0.36) KMT2ARENCTSSOPRL1F10
SCHEMBL7337422 0.90 REN (0.40) KMT2ARENCTSSOPRL1F10
SCHEMBL7330659 0.89 REN (0.46) KMT2ARENCTSSOPRL1F10
SCHEMBL7333699 0.88 REN (0.38) KMT2ARENCTSSOPRL1F10
SCHEMBL7332487 0.84 REN (0.42) KMT2ARENF10F2PLG
SCHEMBL7331323 0.83 KMT2A (0.41) KMT2ARENCTSSOPRL1F10
SCHEMBL7332502 0.83 KMT2A (0.41) KMT2ARENCTSSOPRL1SLC6A4
SCHEMBL7333146 0.83 KMT2A (0.40) KMT2ARENCTSSOPRL1SLC6A4
SCHEMBL7337649 0.82 KMT2A (0.43) KMT2ARENCTSSF10F2

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